1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one

C16H21N3OS — CID 82525740

IUPAC1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCNc1nc(-c2c(C)cc(C)n(C3CCCC3)c2=O)cs1
InChIInChI=1S/C16H21N3OS/c1-10-8-11(2)19(12-6-4-5-7-12)15(20)14(10)13-9-21-16(17-3)18-13/h8-9,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyVILUISFSTPKZOZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.75
Rot. Bonds3

About 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one

1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one (PubChem CID 82525740) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one
PubChem CID82525740
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCNc1nc(-c2c(C)cc(C)n(C3CCCC3)c2=O)cs1
InChIInChI=1S/C16H21N3OS/c1-10-8-11(2)19(12-6-4-5-7-12)15(20)14(10)13-9-21-16(17-3)18-13/h8-9,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyVILUISFSTPKZOZ-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one (CID 82525740) is 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one is CNc1nc(-c2c(C)cc(C)n(C3CCCC3)c2=O)cs1.
What is the InChIKey of 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one?
The InChIKey is VILUISFSTPKZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-8-11(2)19(12-6-4-5-7-12)15(20)14(10)13-9-21-16(17-3)18-13/h8-9,12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one?
1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one has a molecular weight of 303.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one is sourced from PubChem (CID 82525740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).