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

C16H14N4O3S — CID 54742332

IUPAC2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H14N4O3S/c1-10-14(15(23)18-9-11-3-2-5-17-8-11)24-16(19-10)20-6-4-12(21)7-13(20)22/h2-8,21H,9H2,1H3,(H,18,23)
InChIKeyPXIYFNUGCVDQHJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.63
Rot. Bonds4

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

2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 54742332) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID54742332
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H14N4O3S/c1-10-14(15(23)18-9-11-3-2-5-17-8-11)24-16(19-10)20-6-4-12(21)7-13(20)22/h2-8,21H,9H2,1H3,(H,18,23)
InChIKeyPXIYFNUGCVDQHJ-UHFFFAOYSA-N
XLogP1.63
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 54742332) is 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(O)cc2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PXIYFNUGCVDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-10-14(15(23)18-9-11-3-2-5-17-8-11)24-16(19-10)20-6-4-12(21)7-13(20)22/h2-8,21H,9H2,1H3,(H,18,23).
What are the key properties of 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxo-1-pyridinyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54742332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).