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

C12H17NOS — CID 130604750

IUPAC2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone
SMILESCc1cc(C(=O)CC2CCCCC2)sn1
InChIInChI=1S/C12H17NOS/c1-9-7-12(15-13-9)11(14)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyXBVMCWXZXQYFLB-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.60
Rot. Bonds3

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

2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone (PubChem CID 130604750) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone
PubChem CID130604750
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone
SMILESCc1cc(C(=O)CC2CCCCC2)sn1
InChIInChI=1S/C12H17NOS/c1-9-7-12(15-13-9)11(14)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3
InChIKeyXBVMCWXZXQYFLB-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.60
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-methyl-1,2-thiazol-5-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone (CID 130604750) is 2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone is Cc1cc(C(=O)CC2CCCCC2)sn1.
What is the InChIKey of 2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone?
The InChIKey is XBVMCWXZXQYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-7-12(15-13-9)11(14)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone?
2-cyclohexyl-1-(3-methyl-1,2-thiazol-5-yl)ethanone has a molecular weight of 223.34 g/mol, XLogP of 3.60, 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-methyl-1,2-thiazol-5-yl)ethanone is sourced from PubChem (CID 130604750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).