1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone

C12H17NOS — CID 112642272

IUPAC1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1CCCC(C(=O)Cc2cncs2)C1
InChIInChI=1S/C12H17NOS/c1-9-3-2-4-10(5-9)12(14)6-11-7-13-8-15-11/h7-10H,2-6H2,1H3
InChIKeyPYWQTHGTGXDIOL-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.08
Rot. Bonds3

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

1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642272) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642272
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1CCCC(C(=O)Cc2cncs2)C1
InChIInChI=1S/C12H17NOS/c1-9-3-2-4-10(5-9)12(14)6-11-7-13-8-15-11/h7-10H,2-6H2,1H3
InChIKeyPYWQTHGTGXDIOL-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluoro-1,3-thiazol-5-yl)-2-(methyliminomethyl)cyclohexan-1-one
CID 156552537
1-[(1R,2S,6R)-1,2-dimethyl-6-(1,3-thiazol-5-ylmethyl)cyclohexyl]but-2-yn-1-one
CID 162402625
2-(1,3-Thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105126156
1-(4,4-Difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126185
(4-Ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782525
(4-Propylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782527
(3-Ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782530
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
CID 106784055
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784056
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-one
CID 106784057
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
CID 106784116
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cycloheptan-1-one
CID 106784125

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642272) is 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is CC1CCCC(C(=O)Cc2cncs2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is PYWQTHGTGXDIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-3-2-4-10(5-9)12(14)6-11-7-13-8-15-11/h7-10H,2-6H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 223.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).