1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one

C11H13N3OS — CID 60938147

IUPAC1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
SMILESCc1ncc(CNc2ccc(=O)n(C)c2)s1
InChIInChI=1S/C11H13N3OS/c1-8-12-5-10(16-8)6-13-9-3-4-11(15)14(2)7-9/h3-5,7,13H,6H2,1-2H3
InChIKeyRDLDXLDKNLVZSH-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.76
Rot. Bonds3

About 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one

1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one (PubChem CID 60938147) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
PubChem CID60938147
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
SMILESCc1ncc(CNc2ccc(=O)n(C)c2)s1
InChIInChI=1S/C11H13N3OS/c1-8-12-5-10(16-8)6-13-9-3-4-11(15)14(2)7-9/h3-5,7,13H,6H2,1-2H3
InChIKeyRDLDXLDKNLVZSH-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75389323
5-Fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-one
CID 100678601
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323383
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 146323442
2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323457
2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323459
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323474
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 153397919
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 167582426
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-methoxy-1,3-thiazole-5-carboxamide
CID 167696341
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318682

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one (CID 60938147) is 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one is Cc1ncc(CNc2ccc(=O)n(C)c2)s1.
What is the InChIKey of 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
The InChIKey is RDLDXLDKNLVZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-12-5-10(16-8)6-13-9-3-4-11(15)14(2)7-9/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one?
1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one has a molecular weight of 235.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 60938147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).