3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide

C11H6ClN3O2S — CID 143815899

IUPAC3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1snc(Cl)c1O
InChIInChI=1S/C11H6ClN3O2S/c12-10-8(16)9(18-15-10)11(17)14-7-4-2-1-3-6(7)5-13/h1-4,16H,(H,14,17)
InChIKeyVECIUOFGMPWDJD-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.63
Rot. Bonds2

About 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide

3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide (PubChem CID 143815899) has the molecular formula C11H6ClN3O2S and a molecular weight of 279.71 g/mol. Its IUPAC name is 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide
PubChem CID143815899
Molecular FormulaC11H6ClN3O2S
Molecular Weight279.71 g/mol
Exact Mass278.99
IUPAC Name3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1snc(Cl)c1O
InChIInChI=1S/C11H6ClN3O2S/c12-10-8(16)9(18-15-10)11(17)14-7-4-2-1-3-6(7)5-13/h1-4,16H,(H,14,17)
InChIKeyVECIUOFGMPWDJD-UHFFFAOYSA-N
XLogP2.63
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 150757890
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 110692262
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
(2-cyanophenyl)urea
CID 13155570
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide (CID 143815899) is 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide is N#Cc1ccccc1NC(=O)c1snc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide?
The InChIKey is VECIUOFGMPWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S/c12-10-8(16)9(18-15-10)11(17)14-7-4-2-1-3-6(7)5-13/h1-4,16H,(H,14,17).
What are the key properties of 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide?
3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide has a molecular weight of 279.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 143815899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).