3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one

C20H22N2OS2 — CID 10451828

IUPAC3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one
SMILESCSc1ccc(-c2cnccc2C2SCC(=O)N2C2CCCC2)cc1
InChIInChI=1S/C20H22N2OS2/c1-24-16-8-6-14(7-9-16)18-12-21-11-10-17(18)20-22(19(23)13-25-20)15-4-2-3-5-15/h6-12,15,20H,2-5,13H2,1H3
InChIKeyCNRAGICZTRAATL-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.99
Rot. Bonds4

About 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one

3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one (PubChem CID 10451828) has the molecular formula C20H22N2OS2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one
PubChem CID10451828
Molecular FormulaC20H22N2OS2
Molecular Weight370.54 g/mol
Exact Mass370.12
IUPAC Name3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one
SMILESCSc1ccc(-c2cnccc2C2SCC(=O)N2C2CCCC2)cc1
InChIInChI=1S/C20H22N2OS2/c1-24-16-8-6-14(7-9-16)18-12-21-11-10-17(18)20-22(19(23)13-25-20)15-4-2-3-5-15/h6-12,15,20H,2-5,13H2,1H3
InChIKeyCNRAGICZTRAATL-UHFFFAOYSA-N
XLogP4.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one (CID 10451828) is 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one is CSc1ccc(-c2cnccc2C2SCC(=O)N2C2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one?
The InChIKey is CNRAGICZTRAATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS2/c1-24-16-8-6-14(7-9-16)18-12-21-11-10-17(18)20-22(19(23)13-25-20)15-4-2-3-5-15/h6-12,15,20H,2-5,13H2,1H3.
What are the key properties of 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one?
3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one has a molecular weight of 370.54 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[3-(4-methylsulfanylphenyl)-4-pyridinyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10451828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).