2-cyano-5-phenyl-1,3-thiazole-4-carboxamide

C11H7N3OS — CID 86066277

IUPAC2-cyano-5-phenyl-1,3-thiazole-4-carboxamide
SMILESN#Cc1nc(C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C11H7N3OS/c12-6-8-14-9(11(13)15)10(16-8)7-4-2-1-3-5-7/h1-5H,(H2,13,15)
InChIKeyXGEVGVODWWYNPH-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.78
Rot. Bonds2

About 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide

2-cyano-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 86066277) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-cyano-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID86066277
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name2-cyano-5-phenyl-1,3-thiazole-4-carboxamide
SMILESN#Cc1nc(C(N)=O)c(-c2ccccc2)s1
InChIInChI=1S/C11H7N3OS/c12-6-8-14-9(11(13)15)10(16-8)7-4-2-1-3-5-7/h1-5H,(H2,13,15)
InChIKeyXGEVGVODWWYNPH-UHFFFAOYSA-N
XLogP1.78
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
2-phenyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154323409
methyl 2-[(4-methoxycarbonyl-5-phenyl-1,3-thiazol-2-yl)diazenyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 5172041
4-ethyl-5-phenyl-1,3-thiazole-2-carboxamide
CID 121438076
2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 155963732
(5-cyano-2,6-diphenylpyrimidin-4-yl)urea
CID 14983641
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 66865715
3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3117016
methyl 4-cyano-3-hydroxy-5-phenylthiophene-2-carboxylate
CID 82372049
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
2-tert-butyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 170588418

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide (CID 86066277) is 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide is N#Cc1nc(C(N)=O)c(-c2ccccc2)s1.
What is the InChIKey of 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is XGEVGVODWWYNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c12-6-8-14-9(11(13)15)10(16-8)7-4-2-1-3-5-7/h1-5H,(H2,13,15).
What are the key properties of 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide?
2-cyano-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 229.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86066277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).