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

C17H15N3O3S — CID 54742338

IUPACN-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-11-15(16(23)18-10-12-5-3-2-4-6-12)24-17(19-11)20-8-7-13(21)9-14(20)22/h2-9,21H,10H2,1H3,(H,18,23)
InChIKeyFZWTUTSNVNMLPN-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.24
Rot. Bonds4

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

N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 54742338) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID54742338
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O3S/c1-11-15(16(23)18-10-12-5-3-2-4-6-12)24-17(19-11)20-8-7-13(21)9-14(20)22/h2-9,21H,10H2,1H3,(H,18,23)
InChIKeyFZWTUTSNVNMLPN-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21985432
1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
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
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
1-[4-Methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone
CID 4880438
N-Benzyl-2-(4-(benzyloxy)-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 24983658
N-Benzyl-4-methyl-2-(2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24983663
N-benzyl-4-methyl-2-(2-oxo-4-phenethylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984128
N-benzyl-4-methyl-2-(2-oxo-4-phenylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984927

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 54742338) is N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FZWTUTSNVNMLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11-15(16(23)18-10-12-5-3-2-4-6-12)24-17(19-11)20-8-7-13(21)9-14(20)22/h2-9,21H,10H2,1H3,(H,18,23).
What are the key properties of N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54742338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).