N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide

C17H15N3O2S — CID 24985271

IUPACN-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccccc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O2S/c1-12-15(16(22)18-11-13-7-3-2-4-8-13)23-17(19-12)20-10-6-5-9-14(20)21/h2-10H,11H2,1H3,(H,18,22)
InChIKeyBKFXBZYLQGXCNC-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.53
Rot. Bonds4

About N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 24985271) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID24985271
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccccc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O2S/c1-12-15(16(22)18-11-13-7-3-2-4-8-13)23-17(19-12)20-10-6-5-9-14(20)21/h2-10H,11H2,1H3,(H,18,22)
InChIKeyBKFXBZYLQGXCNC-UHFFFAOYSA-N
XLogP2.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-mesityl-4-methyl-2-(3-phenylureido)thiazole-5-carboxamide
CID 16897096
4-methyl-2-[(methylcarbamoyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911406
2-[(benzylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911412
2-(Benzoylamino)-4-methyl-n-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
CID 21911517
2-acetamido-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911563
2-[(butylcarbamoyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985432
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid o-tolylamide
CID 857264
N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 977380
N-{[(4,5-dimethyl-1,3-thiazol-2-yl)amino]carbonothioyl}benzamide
CID 782768

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide (CID 24985271) is N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccccc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BKFXBZYLQGXCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12-15(16(22)18-11-13-7-3-2-4-8-13)23-17(19-12)20-10-6-5-9-14(20)21/h2-10H,11H2,1H3,(H,18,22).
What are the key properties of N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-(2-oxo-1-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24985271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).