4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one

C14H16N2OS — CID 58171521

IUPAC4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one
SMILESCn1ccc(-c2csc(C3CCCC3)n2)cc1=O
InChIInChI=1S/C14H16N2OS/c1-16-7-6-11(8-13(16)17)12-9-18-14(15-12)10-4-2-3-5-10/h6-10H,2-5H2,1H3
InChIKeyIZRHAEHJWKUTAE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.17
Rot. Bonds2

About 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one

4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one (PubChem CID 58171521) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one
PubChem CID58171521
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one
SMILESCn1ccc(-c2csc(C3CCCC3)n2)cc1=O
InChIInChI=1S/C14H16N2OS/c1-16-7-6-11(8-13(16)17)12-9-18-14(15-12)10-4-2-3-5-10/h6-10H,2-5H2,1H3
InChIKeyIZRHAEHJWKUTAE-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one?
The IUPAC name of 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one (CID 58171521) is 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one is Cn1ccc(-c2csc(C3CCCC3)n2)cc1=O.
What is the InChIKey of 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one?
The InChIKey is IZRHAEHJWKUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16-7-6-11(8-13(16)17)12-9-18-14(15-12)10-4-2-3-5-10/h6-10H,2-5H2,1H3.
What are the key properties of 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one?
4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one has a molecular weight of 260.36 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyl-1,3-thiazol-4-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 58171521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).