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

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Related Compounds

N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
CID 82466701
N-cyclopentyl-4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 8961705
1-cyclopentyl-3-(hydroxymethyl)-4,6-dimethylpyridin-2-one
CID 82525770
1-cyclopropyl-6-methyl-3-[2-(propylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525170
1-cyclopropyl-4,6-dimethyl-3-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
CID 82526058
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
3-(chloromethyl)-1-cyclohexyl-4,6-dimethylpyridin-2-one
CID 82525716
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one
CID 82525166
1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082126
3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82525174

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).