[2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol

C16H27NOS — CID 91074460

IUPAC[2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CCCCCCC2CCCCC2)n1
InChIInChI=1S/C16H27NOS/c18-12-15-13-19-16(17-15)11-7-2-1-4-8-14-9-5-3-6-10-14/h13-14,18H,1-12H2
InChIKeyOSIOSIBRQGDJDM-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.71
Rot. Bonds8

About [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol

[2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol (PubChem CID 91074460) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol
PubChem CID91074460
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name[2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CCCCCCC2CCCCC2)n1
InChIInChI=1S/C16H27NOS/c18-12-15-13-19-16(17-15)11-7-2-1-4-8-14-9-5-3-6-10-14/h13-14,18H,1-12H2
InChIKeyOSIOSIBRQGDJDM-UHFFFAOYSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol (CID 91074460) is [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol is OCc1csc(CCCCCCC2CCCCC2)n1.
What is the InChIKey of [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is OSIOSIBRQGDJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c18-12-15-13-19-16(17-15)11-7-2-1-4-8-14-9-5-3-6-10-14/h13-14,18H,1-12H2.
What are the key properties of [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol?
[2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 281.46 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-cyclohexylhexyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 91074460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).