1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C17H27NOS — CID 115789354

IUPAC1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCCCCC1CCC(C(=O)Cc2nc(C)c(C)s2)CC1
InChIInChI=1S/C17H27NOS/c1-4-5-6-14-7-9-15(10-8-14)16(19)11-17-18-12(2)13(3)20-17/h14-15H,4-11H2,1-3H3
InChIKeyIOXLIRRNXWFRHP-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.87
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 115789354) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID115789354
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCCCCC1CCC(C(=O)Cc2nc(C)c(C)s2)CC1
InChIInChI=1S/C17H27NOS/c1-4-5-6-14-7-9-15(10-8-14)16(19)11-17-18-12(2)13(3)20-17/h14-15H,4-11H2,1-3H3
InChIKeyIOXLIRRNXWFRHP-UHFFFAOYSA-N
XLogP4.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)acetyl]pyrrolidine-1-carboxylate
CID 107092053
2-(4-bromothiophen-2-yl)-1-(4-butylcyclohexyl)ethanone
CID 114969376
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116584290
1-(4-butylcyclohexyl)-2-cyclopentylethanone
CID 114969263
1-(4-butylcyclohexyl)-2-methoxyethanone
CID 115783287
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783452
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19206940
3-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 115789480
(3Z,5Z)-1-(4-butylcyclohexyl)octa-3,5-dien-1-one
CID 168962516

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 115789354) is 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is CCCCC1CCC(C(=O)Cc2nc(C)c(C)s2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is IOXLIRRNXWFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-5-6-14-7-9-15(10-8-14)16(19)11-17-18-12(2)13(3)20-17/h14-15H,4-11H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 293.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 115789354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).