2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H15NOS — CID 130991796

IUPAC2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)C=C2CCCCC2)cs1
InChIInChI=1S/C12H15NOS/c1-9-13-11(8-15-9)12(14)7-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3
InChIKeySDBKGUMFCWELBE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.52
Rot. Bonds2

About 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone

2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 130991796) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID130991796
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)C=C2CCCCC2)cs1
InChIInChI=1S/C12H15NOS/c1-9-13-11(8-15-9)12(14)7-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3
InChIKeySDBKGUMFCWELBE-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 130991796) is 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(C(=O)C=C2CCCCC2)cs1.
What is the InChIKey of 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is SDBKGUMFCWELBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-9-13-11(8-15-9)12(14)7-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 221.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 130991796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).