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

C11H6ClN3OS — CID 150757890

IUPAC4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1sncc1Cl
InChIInChI=1S/C11H6ClN3OS/c12-8-6-14-17-10(8)11(16)15-9-4-2-1-3-7(9)5-13/h1-4,6H,(H,15,16)
InChIKeyJXFUNTNNSCCTED-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.92
Rot. Bonds2

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

4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide (PubChem CID 150757890) has the molecular formula C11H6ClN3OS and a molecular weight of 263.71 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
PubChem CID150757890
Molecular FormulaC11H6ClN3OS
Molecular Weight263.71 g/mol
Exact Mass262.99
IUPAC Name4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1sncc1Cl
InChIInChI=1S/C11H6ClN3OS/c12-8-6-14-17-10(8)11(16)15-9-4-2-1-3-7(9)5-13/h1-4,6H,(H,15,16)
InChIKeyJXFUNTNNSCCTED-UHFFFAOYSA-N
XLogP2.92
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-cyanophenyl)-4-hydroxy-1,2-thiazole-5-carboxamide
CID 143815899
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 110692262
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
6-amino-3-chloro-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 62155906
5-amino-N-(2-cyanophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515671
5-(3-chloro-2-pyridinyl)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 59672679
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide (CID 150757890) is 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide is N#Cc1ccccc1NC(=O)c1sncc1Cl.
What is the InChIKey of 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide?
The InChIKey is JXFUNTNNSCCTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3OS/c12-8-6-14-17-10(8)11(16)15-9-4-2-1-3-7(9)5-13/h1-4,6H,(H,15,16).
What are the key properties of 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide?
4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide has a molecular weight of 263.71 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 150757890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).