1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one

C12H14N2OS — CID 146635159

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one
SMILESCc1cnc(-n2cccc(C(C)C)c2=O)s1
InChIInChI=1S/C12H14N2OS/c1-8(2)10-5-4-6-14(11(10)15)12-13-7-9(3)16-12/h4-8H,1-3H3
InChIKeyVBLPOBPZZGNBRL-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.73
Rot. Bonds2

About 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one

1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one (PubChem CID 146635159) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one
PubChem CID146635159
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one
SMILESCc1cnc(-n2cccc(C(C)C)c2=O)s1
InChIInChI=1S/C12H14N2OS/c1-8(2)10-5-4-6-14(11(10)15)12-13-7-9(3)16-12/h4-8H,1-3H3
InChIKeyVBLPOBPZZGNBRL-UHFFFAOYSA-N
XLogP2.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one (CID 146635159) is 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one is Cc1cnc(-n2cccc(C(C)C)c2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one?
The InChIKey is VBLPOBPZZGNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8(2)10-5-4-6-14(11(10)15)12-13-7-9(3)16-12/h4-8H,1-3H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one?
1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one has a molecular weight of 234.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146635159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).