3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

C14H18N2OS — CID 3239802

IUPAC3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1C1CCCCC1
InChIInChI=1S/C14H18N2OS/c17-13-10-18-14(11-5-4-8-15-9-11)16(13)12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2
InChIKeyKOBQOYDZQUQKNF-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.99
Rot. Bonds2

About 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 3239802) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID3239802
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2)N1C1CCCCC1
InChIInChI=1S/C14H18N2OS/c17-13-10-18-14(11-5-4-8-15-9-11)16(13)12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2
InChIKeyKOBQOYDZQUQKNF-UHFFFAOYSA-N
XLogP2.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 3239802) is 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is KOBQOYDZQUQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-13-10-18-14(11-5-4-8-15-9-11)16(13)12-6-2-1-3-7-12/h4-5,8-9,12,14H,1-3,6-7,10H2.
What are the key properties of 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3239802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).