(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone

C12H17NOS — CID 130789671

IUPAC(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone
SMILESCCC1CCC(C(=O)c2ccns2)CC1
InChIInChI=1S/C12H17NOS/c1-2-9-3-5-10(6-4-9)12(14)11-7-8-13-15-11/h7-10H,2-6H2,1H3
InChIKeyITCOLGKBABOEDF-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.54
Rot. Bonds3

About (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone

(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone (PubChem CID 130789671) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone
PubChem CID130789671
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone
SMILESCCC1CCC(C(=O)c2ccns2)CC1
InChIInChI=1S/C12H17NOS/c1-2-9-3-5-10(6-4-9)12(14)11-7-8-13-15-11/h7-10H,2-6H2,1H3
InChIKeyITCOLGKBABOEDF-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone
CID 64774792
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone (CID 130789671) is (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone is CCC1CCC(C(=O)c2ccns2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone?
The InChIKey is ITCOLGKBABOEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-9-3-5-10(6-4-9)12(14)11-7-8-13-15-11/h7-10H,2-6H2,1H3.
What are the key properties of (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone?
(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone has a molecular weight of 223.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 130789671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).