1-(1,3-thiazol-4-ylmethyl)pyridin-2-one

C9H8N2OS — CID 115582456

IUPAC1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1cscn1
InChIInChI=1S/C9H8N2OS/c12-9-3-1-2-4-11(9)5-8-6-13-7-10-8/h1-4,6-7H,5H2
InChIKeySELQZGZAILACPZ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.35
Rot. Bonds2

About 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one

1-(1,3-thiazol-4-ylmethyl)pyridin-2-one (PubChem CID 115582456) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
PubChem CID115582456
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name1-(1,3-thiazol-4-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1cscn1
InChIInChI=1S/C9H8N2OS/c12-9-3-1-2-4-11(9)5-8-6-13-7-10-8/h1-4,6-7H,5H2
InChIKeySELQZGZAILACPZ-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(indol-1-ylmethyl)-1,3-thiazole
CID 22397295
1-(1,3-thiazol-4-ylmethyl)pyridin-4-one
CID 116622179
1-ethyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 63811075
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 66401757
1-[[5-(bromomethyl)-2-pyridinyl]methyl]pyridin-2-one
CID 177191287
ethane;1-[(5-methyl-4H-pyridin-4-id-2-yl)methyl]pyridin-2-one;yttrium
CID 177234828
N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 124875352
5-iodo-3-(1,3-thiazol-4-ylmethyl)pyrimidin-4-one
CID 66308632
1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
CID 116618456
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 97282055
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-2-one
CID 115687910

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one?
The IUPAC name of 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one (CID 115582456) is 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one is O=c1ccccn1Cc1cscn1.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one?
The InChIKey is SELQZGZAILACPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-9-3-1-2-4-11(9)5-8-6-13-7-10-8/h1-4,6-7H,5H2.
What are the key properties of 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one?
1-(1,3-thiazol-4-ylmethyl)pyridin-2-one has a molecular weight of 192.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 115582456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).