3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one

C10H11N3OS — CID 82991105

IUPAC3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one
SMILESCc1nc(Cn2ccc(=O)c(N)c2)cs1
InChIInChI=1S/C10H11N3OS/c1-7-12-8(6-15-7)4-13-3-2-10(14)9(11)5-13/h2-3,5-6H,4,11H2,1H3
InChIKeyQPMVURVZRNVODK-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.24
Rot. Bonds2

About 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one

3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one (PubChem CID 82991105) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one
PubChem CID82991105
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one
SMILESCc1nc(Cn2ccc(=O)c(N)c2)cs1
InChIInChI=1S/C10H11N3OS/c1-7-12-8(6-15-7)4-13-3-2-10(14)9(11)5-13/h2-3,5-6H,4,11H2,1H3
InChIKeyQPMVURVZRNVODK-UHFFFAOYSA-N
XLogP1.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-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

2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405995
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
1-[(2-amino-1,3-thiazol-4-yl)methyl]pyridin-4-one
CID 62880002
6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 116788406
2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 141198028
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate
CID 82994152
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one
CID 82990279
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721394
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
CID 63926670

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one (CID 82991105) is 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one is Cc1nc(Cn2ccc(=O)c(N)c2)cs1.
What is the InChIKey of 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one?
The InChIKey is QPMVURVZRNVODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-12-8(6-15-7)4-13-3-2-10(14)9(11)5-13/h2-3,5-6H,4,11H2,1H3.
What are the key properties of 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one?
3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one has a molecular weight of 221.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82991105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).