N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C17H12N4OS — CID 17481163

IUPACN-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H12N4OS/c1-11-15(23-17(20-11)14-4-2-3-9-19-14)16(22)21-13-7-5-12(10-18)6-8-13/h2-9H,1H3,(H,21,22)
InChIKeyDAXQPSBQKFRDQP-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.64
Rot. Bonds3

About N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 17481163) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID17481163
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC NameN-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H12N4OS/c1-11-15(23-17(20-11)14-4-2-3-9-19-14)16(22)21-13-7-5-12(10-18)6-8-13/h2-9H,1H3,(H,21,22)
InChIKeyDAXQPSBQKFRDQP-UHFFFAOYSA-N
XLogP3.64
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450
4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78890221
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55879949
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55920129
4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 146710066
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
4-methyl-2-pyridin-2-yl-N-quinolin-5-yl-1,3-thiazole-5-carboxamide
CID 86907870
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 17481163) is N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DAXQPSBQKFRDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-11-15(23-17(20-11)14-4-2-3-9-19-14)16(22)21-13-7-5-12(10-18)6-8-13/h2-9H,1H3,(H,21,22).
What are the key properties of N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17481163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).