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

C17H29NOS — CID 59545496

IUPAC[2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol
SMILESCC1CCC(CCCCCCc2nc(CO)cs2)CC1
InChIInChI=1S/C17H29NOS/c1-14-8-10-15(11-9-14)6-4-2-3-5-7-17-18-16(12-19)13-20-17/h13-15,19H,2-12H2,1H3
InChIKeyOOUVAFDSJIIUTH-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.95
Rot. Bonds8

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

[2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol (PubChem CID 59545496) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol
PubChem CID59545496
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name[2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol
SMILESCC1CCC(CCCCCCc2nc(CO)cs2)CC1
InChIInChI=1S/C17H29NOS/c1-14-8-10-15(11-9-14)6-4-2-3-5-7-17-18-16(12-19)13-20-17/h13-15,19H,2-12H2,1H3
InChIKeyOOUVAFDSJIIUTH-UHFFFAOYSA-N
XLogP4.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.95
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-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol (CID 59545496) is [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol is CC1CCC(CCCCCCc2nc(CO)cs2)CC1.
What is the InChIKey of [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is OOUVAFDSJIIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-14-8-10-15(11-9-14)6-4-2-3-5-7-17-18-16(12-19)13-20-17/h13-15,19H,2-12H2,1H3.
What are the key properties of [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol?
[2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 295.49 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 59545496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).