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

C15H23NOS — CID 112642355

IUPAC1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC(C)(C)C1CCC(C(=O)Cc2cncs2)CC1
InChIInChI=1S/C15H23NOS/c1-15(2,3)12-6-4-11(5-7-12)14(17)8-13-9-16-10-18-13/h9-12H,4-8H2,1-3H3
InChIKeyRZQYOJZUFUSYOS-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.11
Rot. Bonds3

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

1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642355) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642355
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC(C)(C)C1CCC(C(=O)Cc2cncs2)CC1
InChIInChI=1S/C15H23NOS/c1-15(2,3)12-6-4-11(5-7-12)14(17)8-13-9-16-10-18-13/h9-12H,4-8H2,1-3H3
InChIKeyRZQYOJZUFUSYOS-UHFFFAOYSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
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
(4,4-Dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782526
(4-Propan-2-ylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782528
(4-Tert-butylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782529
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-one
CID 106784055
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
5-Methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one
CID 106784129
(2,2-Dimethylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107187691

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642355) is 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is CC(C)(C)C1CCC(C(=O)Cc2cncs2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is RZQYOJZUFUSYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(2,3)12-6-4-11(5-7-12)14(17)8-13-9-16-10-18-13/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 265.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).