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

C9H11NOS — CID 141313463

IUPAC2-(1,3-thiazol-5-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1cncs1
InChIInChI=1S/C9H11NOS/c11-8-4-2-1-3-7(8)9-5-10-6-12-9/h5-7H,1-4H2
InChIKeyPMLJJYSJELBYGH-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.37
Rot. Bonds1

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

2-(1,3-thiazol-5-yl)cyclohexan-1-one (PubChem CID 141313463) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)cyclohexan-1-one
PubChem CID141313463
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(1,3-thiazol-5-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1cncs1
InChIInChI=1S/C9H11NOS/c11-8-4-2-1-3-7(8)9-5-10-6-12-9/h5-7H,1-4H2
InChIKeyPMLJJYSJELBYGH-UHFFFAOYSA-N
XLogP2.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.37
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 2-(1,3-thiazol-5-yl)cyclohexan-1-one?
The IUPAC name of 2-(1,3-thiazol-5-yl)cyclohexan-1-one (CID 141313463) is 2-(1,3-thiazol-5-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1,3-thiazol-5-yl)cyclohexan-1-one is O=C1CCCCC1c1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)cyclohexan-1-one?
The InChIKey is PMLJJYSJELBYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-8-4-2-1-3-7(8)9-5-10-6-12-9/h5-7H,1-4H2.
What are the key properties of 2-(1,3-thiazol-5-yl)cyclohexan-1-one?
2-(1,3-thiazol-5-yl)cyclohexan-1-one has a molecular weight of 181.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)cyclohexan-1-one is sourced from PubChem (CID 141313463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).