Compound Summary


Ro 41-1049 hydrochloride
  Compound Information
 Ro 41-1049 hydrochloride

Compound Name:

Ro 41-1049 hydrochloride

Compound CID:

5311308

Synonyms:

Ro 41-1049 hydrochloride

RO-41-1049 hydrochloride

127917-66-2

UNII-19Z49HUF4G

Ro 41-1049 (hydrochloride)

More...

Iupac Name:

N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

InChI:

InChI=1S/C12H12FN3OS.ClH/c13-9-3-1-2-8(6-9)11-10(16-7-18-11)12(17)15-5-4-14;/h1-3,6-7H,4-5,14H2,(H,15,17);1H

InChIKey:

RRNSPXUFTKJIEZ-UHFFFAOYSA-N

Canonical Smiles:

C1=CC(=CC(=C1)F)C2=C(N=CS2)C(=O)NCCN.Cl

Isomeric Smiles:

C1=CC(=CC(=C1)F)C2=C(N=CS2)C(=O)NCCN.Cl

Molecular Weight:

301.77

Molecular Formula:

C12H13ClFN3OS

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Ro 41-1049 hydrochloride

Molecular Weight:

301.77

Molecular Formula:

C12H13ClFN3OS

Hydrogen Bond Donor Count:

3

Hydrogen Bond Acceptor Count:

5

Rotatable Bond Count:

4

Heavy Atom Count:

19

Complexity:

293

  Synonyms
 Ro 41-1049 hydrochloride

Ro 41-1049 hydrochloride Ro 41-1049 hydrochloride

Ro 41-1049 hydrochloride

RO-41-1049 hydrochloride

127917-66-2

UNII-19Z49HUF4G

Ro 41-1049 (hydrochloride)

Ro 41-1049

N-(2-Aminoethyl)-5-(3-fluorophenyl)-4-thiazolecarboxamide hydrochloride

19Z49HUF4G

4-Thiazolecarboxamide, N-(2-aminoethyl)-5-(3-fluorophenyl)-, hydrochloride (1:1)

N-(2-aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride

MLS000860021

SCHEMBL1665880

CHEMBL1256290

RO41-1049 HCl

CFA91766

EX-A2359

CS-5591

HY-100027A

LP01113

Ro-411049

NCGC00094383-01

SMR000326879

EU-0101113

A921450

SR-01000075635

J-005497

SR-01000075635-2

Q27252138

N-(2-aminoethyl)-5-(3-fluorophenyl)thiazole-4-carboxamide hydrochloride

N-(2-aminoethyl)-5-(m-fluorophenyl)-4-thiazole carboxamide hydrochloride

N-(2-Aminoethyl)-5-(3-fluorophenyl)-1,3-thiazole-4-carboxamide,hydrochloride

  Experimental Data
 Ro 41-1049 hydrochloride

Species Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Caenorhabditis elegans 33.000000000000000 umol/L -8.000000000000000 NS N2 24134630 Inactive
  Experimental Data Visualization
 Ro 41-1049 hydrochloride

  Statistics Data
 Ro 41-1049 hydrochloride

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans -8.000000000000000 1 1
  Statistics Data Visualization
 Ro 41-1049 hydrochloride