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

C17H16N4O2S — CID 24985270

IUPAC2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(N)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11-15(16(23)19-10-12-5-3-2-4-6-12)24-17(20-11)21-8-7-13(18)9-14(21)22/h2-9H,10,18H2,1H3,(H,19,23)
InChIKeyFTEMUXGUUVKJNQ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.11
Rot. Bonds4

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

2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24985270) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24985270
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(N)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-11-15(16(23)19-10-12-5-3-2-4-6-12)24-17(20-11)21-8-7-13(18)9-14(21)22/h2-9H,10,18H2,1H3,(H,19,23)
InChIKeyFTEMUXGUUVKJNQ-UHFFFAOYSA-N
XLogP2.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

H3B-120
CID 132355378
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-[(butylcarbamoyl)amino]-N-(2-chloro-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 21911491
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
Nvs-PI3-4
CID 23585510
CCR3 Antagonist
CID 11329244
1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445845
1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(methylcarbamoyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445865
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide (CID 24985270) is 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(N)cc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FTEMUXGUUVKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-15(16(23)19-10-12-5-3-2-4-6-12)24-17(20-11)21-8-7-13(18)9-14(21)22/h2-9H,10,18H2,1H3,(H,19,23).
What are the key properties of 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxo-1-pyridinyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24985270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).