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

C13H19NOS — CID 107187393

IUPAC1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C)CCCCC1C(=O)Cc1cncs1
InChIInChI=1S/C13H19NOS/c1-13(2)6-4-3-5-11(13)12(15)7-10-8-14-9-16-10/h8-9,11H,3-7H2,1-2H3
InChIKeyVNHRPXKLDBRMPI-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.47
Rot. Bonds3

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

1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 107187393) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID107187393
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C)CCCCC1C(=O)Cc1cncs1
InChIInChI=1S/C13H19NOS/c1-13(2)6-4-3-5-11(13)12(15)7-10-8-14-9-16-10/h8-9,11H,3-7H2,1-2H3
InChIKeyVNHRPXKLDBRMPI-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (CID 107187393) is 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is CC1(C)CCCCC1C(=O)Cc1cncs1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is VNHRPXKLDBRMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2)6-4-3-5-11(13)12(15)7-10-8-14-9-16-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 237.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 107187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).