3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one

C9H9N3OS — CID 130778586

IUPAC3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1NCc1cscn1
InChIInChI=1S/C9H9N3OS/c13-9-8(2-1-3-10-9)11-4-7-5-14-6-12-7/h1-3,5-6,11H,4H2,(H,10,13)
InChIKeyVOLMNBRRPRIRLO-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.44
Rot. Bonds3

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

3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one (PubChem CID 130778586) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
PubChem CID130778586
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1NCc1cscn1
InChIInChI=1S/C9H9N3OS/c13-9-8(2-1-3-10-9)11-4-7-5-14-6-12-7/h1-3,5-6,11H,4H2,(H,10,13)
InChIKeyVOLMNBRRPRIRLO-UHFFFAOYSA-N
XLogP1.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
2-(difluoromethylsulfonyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169847
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
N-(1,3-thiazol-4-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60688050
N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoselenadiazol-4-amine
CID 60690748
1-phenyl-6-(1,3-thiazol-4-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154741360
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
2-cyclopentylsulfanyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61170826

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one (CID 130778586) is 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one is O=c1[nH]cccc1NCc1cscn1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one?
The InChIKey is VOLMNBRRPRIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c13-9-8(2-1-3-10-9)11-4-7-5-14-6-12-7/h1-3,5-6,11H,4H2,(H,10,13).
What are the key properties of 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one?
3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one has a molecular weight of 207.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one is sourced from PubChem (CID 130778586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).