2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol

C17H21NOS — CID 62364984

IUPAC2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
SMILESOC(Cc1csc(C2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C17H21NOS/c19-16(13-7-3-1-4-8-13)11-15-12-20-17(18-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14,16,19H,2,5-6,9-11H2
InChIKeyUJYDNMKVGGFMQF-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.47
Rot. Bonds4

About 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol

2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol (PubChem CID 62364984) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
PubChem CID62364984
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
SMILESOC(Cc1csc(C2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C17H21NOS/c19-16(13-7-3-1-4-8-13)11-15-12-20-17(18-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14,16,19H,2,5-6,9-11H2
InChIKeyUJYDNMKVGGFMQF-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol?
The IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol (CID 62364984) is 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol?
The canonical SMILES for 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol is OC(Cc1csc(C2CCCCC2)n1)c1ccccc1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol?
The InChIKey is UJYDNMKVGGFMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-16(13-7-3-1-4-8-13)11-15-12-20-17(18-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14,16,19H,2,5-6,9-11H2.
What are the key properties of 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol?
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol has a molecular weight of 287.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol is sourced from PubChem (CID 62364984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).