1-(1,3-thiazol-2-yl)octan-1-ol

C11H19NOS — CID 10943825

IUPAC1-(1,3-thiazol-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1nccs1
InChIInChI=1S/C11H19NOS/c1-2-3-4-5-6-7-10(13)11-12-8-9-14-11/h8-10,13H,2-7H2,1H3
InChIKeyFSWKTMPBPFFGFM-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.54
Rot. Bonds7

About 1-(1,3-thiazol-2-yl)octan-1-ol

1-(1,3-thiazol-2-yl)octan-1-ol (PubChem CID 10943825) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)octan-1-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)octan-1-ol
PubChem CID10943825
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-(1,3-thiazol-2-yl)octan-1-ol
SMILESCCCCCCCC(O)c1nccs1
InChIInChI=1S/C11H19NOS/c1-2-3-4-5-6-7-10(13)11-12-8-9-14-11/h8-10,13H,2-7H2,1H3
InChIKeyFSWKTMPBPFFGFM-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.54
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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Related Compounds

2-tetradecan-7-yl-1,3-thiazole
CID 130410551
2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol
CID 137426861
3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
CID 67224774
N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
CID 114078531
[(1R)-1-(1,3-thiazol-2-yl)octyl] butanoate
CID 10684418
methyl 4-[1-(1,3-thiazol-2-yl)tridecyl]benzoate
CID 176916363
5-(4-hexoxyphenyl)-5-(1,3-thiazol-2-yl)pentan-1-ol
CID 67115711
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)octan-1-ol?
The IUPAC name of 1-(1,3-thiazol-2-yl)octan-1-ol (CID 10943825) is 1-(1,3-thiazol-2-yl)octan-1-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)octan-1-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)octan-1-ol is CCCCCCCC(O)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)octan-1-ol?
The InChIKey is FSWKTMPBPFFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-10(13)11-12-8-9-14-11/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)octan-1-ol?
1-(1,3-thiazol-2-yl)octan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)octan-1-ol is sourced from PubChem (CID 10943825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).