3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

C16H22N2OS — CID 13304136

IUPAC3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccnc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C16H22N2OS/c1-12-15(19)18(11-13-6-3-2-4-7-13)16(20-12)14-8-5-9-17-10-14/h5,8-10,12-13,16H,2-4,6-7,11H2,1H3
InChIKeyKZUZZYKBZWKJHW-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.62
Rot. Bonds3

About 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 13304136) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID13304136
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccnc2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C16H22N2OS/c1-12-15(19)18(11-13-6-3-2-4-7-13)16(20-12)14-8-5-9-17-10-14/h5,8-10,12-13,16H,2-4,6-7,11H2,1H3
InChIKeyKZUZZYKBZWKJHW-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 13304136) is 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is CC1SC(c2cccnc2)N(CC2CCCCC2)C1=O.
What is the InChIKey of 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is KZUZZYKBZWKJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-15(19)18(11-13-6-3-2-4-7-13)16(20-12)14-8-5-9-17-10-14/h5,8-10,12-13,16H,2-4,6-7,11H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 290.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 13304136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).