1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone

C12H17NOS — CID 57424343

IUPAC1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(C2CCCCC2)nc1C
InChIInChI=1S/C12H17NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyZIABTSNJWHTTNU-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.70
Rot. Bonds2

About 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone

1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 57424343) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID57424343
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(C2CCCCC2)nc1C
InChIInChI=1S/C12H17NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyZIABTSNJWHTTNU-UHFFFAOYSA-N
XLogP3.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone (CID 57424343) is 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(C2CCCCC2)nc1C.
What is the InChIKey of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is ZIABTSNJWHTTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3.
What are the key properties of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone?
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 223.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 57424343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).