4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one

C10H13NOS — CID 91070663

IUPAC4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one
SMILESCc1ncc(C2CCC(=O)CC2)s1
InChIInChI=1S/C10H13NOS/c1-7-11-6-10(13-7)8-2-4-9(12)5-3-8/h6,8H,2-5H2,1H3
InChIKeyLOPOAXYXCFJPGR-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.68
Rot. Bonds1

About 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one

4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one (PubChem CID 91070663) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one
PubChem CID91070663
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one
SMILESCc1ncc(C2CCC(=O)CC2)s1
InChIInChI=1S/C10H13NOS/c1-7-11-6-10(13-7)8-2-4-9(12)5-3-8/h6,8H,2-5H2,1H3
InChIKeyLOPOAXYXCFJPGR-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784117
5-[(1-Fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
4,4-Dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pentan-1-one
CID 135058218
2,3,3-Trimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-one
CID 135075591
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
Cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782437
Cyclopentyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782444
(4-Methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782461
(4-Ethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782525
(4,4-Dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782526

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one?
The IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one (CID 91070663) is 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one is Cc1ncc(C2CCC(=O)CC2)s1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one?
The InChIKey is LOPOAXYXCFJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-7-11-6-10(13-7)8-2-4-9(12)5-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one?
4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one has a molecular weight of 195.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-5-yl)cyclohexan-1-one is sourced from PubChem (CID 91070663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).