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

C17H14FN3O3S — CID 54742339

IUPACN-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-2-4-12(18)5-3-11)25-17(20-10)21-7-6-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24)
InChIKeyKHIDEYHOVWAHBR-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.38
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 54742339) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID54742339
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-2-4-12(18)5-3-11)25-17(20-10)21-7-6-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24)
InChIKeyKHIDEYHOVWAHBR-UHFFFAOYSA-N
XLogP2.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(Benzylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963386
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
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
N-Benzyl-2-(4-methoxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 24985101
2-(4-Amino-2-oxopyridin-1(2H)-yl)-N-benzyl-4-methylthiazole-5-carboxamide
CID 24985270
N-Benzyl-4-methyl-2-(2-oxopyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985271
N-benzyl-2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094597
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-fluorobenzyl)-4-methylthiazole-5-carboxamide
CID 25094599
(R)-N-benzyl-2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxamide
CID 25094874

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 54742339) is N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KHIDEYHOVWAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-10-15(16(24)19-9-11-2-4-12(18)5-3-11)25-17(20-10)21-7-6-13(22)8-14(21)23/h2-8,22H,9H2,1H3,(H,19,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54742339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).