(2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone

C15H21NOS — CID 134309927

IUPAC(2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone
SMILESO=C(c1csc(C2CCCCC2)n1)C1CCCC1
InChIInChI=1S/C15H21NOS/c17-14(11-6-4-5-7-11)13-10-18-15(16-13)12-8-2-1-3-9-12/h10-12H,1-9H2
InChIKeyOTGLTQMKWCIENO-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.56
Rot. Bonds3

About (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone

(2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone (PubChem CID 134309927) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone
PubChem CID134309927
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone
SMILESO=C(c1csc(C2CCCCC2)n1)C1CCCC1
InChIInChI=1S/C15H21NOS/c17-14(11-6-4-5-7-11)13-10-18-15(16-13)12-8-2-1-3-9-12/h10-12H,1-9H2
InChIKeyOTGLTQMKWCIENO-UHFFFAOYSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone?
The IUPAC name of (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone (CID 134309927) is (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone.
What is the SMILES notation for (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone?
The canonical SMILES for (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone is O=C(c1csc(C2CCCCC2)n1)C1CCCC1.
What is the InChIKey of (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone?
The InChIKey is OTGLTQMKWCIENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-14(11-6-4-5-7-11)13-10-18-15(16-13)12-8-2-1-3-9-12/h10-12H,1-9H2.
What are the key properties of (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone?
(2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone has a molecular weight of 263.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone is sourced from PubChem (CID 134309927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).