N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide

C12H9N3OS — CID 110864602

IUPACN-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C#N)s1
InChIInChI=1S/C12H9N3OS/c1-8-14-7-11(17-8)12(16)15-10-5-3-2-4-9(10)6-13/h2-5,7H,1H3,(H,15,16)
InChIKeyINQNVUMQVYJDOF-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.58
Rot. Bonds2

About N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110864602) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110864602
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC NameN-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2C#N)s1
InChIInChI=1S/C12H9N3OS/c1-8-14-7-11(17-8)12(16)15-10-5-3-2-4-9(10)6-13/h2-5,7H,1H3,(H,15,16)
InChIKeyINQNVUMQVYJDOF-UHFFFAOYSA-N
XLogP2.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 110692262
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 113248158
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-[2-(azepan-1-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 71881060
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
5-amino-N-(2-cyanophenyl)-2-methylpyridine-3-carboxamide
CID 54913836
N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721783
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656
2-(2-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268251
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 110864602) is N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2ccccc2C#N)s1.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is INQNVUMQVYJDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-14-7-11(17-8)12(16)15-10-5-3-2-4-9(10)6-13/h2-5,7H,1H3,(H,15,16).
What are the key properties of N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110864602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).