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

C11H15NOS — CID 112642241

IUPAC1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCCCC1
InChIInChI=1S/C11H15NOS/c13-11(6-10-7-12-8-14-10)9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyYBTAKTNFZGXIBP-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.84
Rot. Bonds3

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

1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642241) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642241
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)C1CCCCC1
InChIInChI=1S/C11H15NOS/c13-11(6-10-7-12-8-14-10)9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyYBTAKTNFZGXIBP-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.84
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
(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
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-one
CID 103311562
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
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-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone (CID 112642241) is 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is YBTAKTNFZGXIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-11(6-10-7-12-8-14-10)9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone?
1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 209.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).