2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol

C10H16FNOS — CID 137426861

IUPAC2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol
SMILESCCCCCC(F)C(O)c1nccs1
InChIInChI=1S/C10H16FNOS/c1-2-3-4-5-8(11)9(13)10-12-6-7-14-10/h6-9,13H,2-5H2,1H3
InChIKeyUCHDIERZTBBMJN-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.09
Rot. Bonds6

About 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol

2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol (PubChem CID 137426861) has the molecular formula C10H16FNOS and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol.

Molecular Properties

Compound Name2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol
PubChem CID137426861
Molecular FormulaC10H16FNOS
Molecular Weight217.31 g/mol
Exact Mass217.09
IUPAC Name2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol
SMILESCCCCCC(F)C(O)c1nccs1
InChIInChI=1S/C10H16FNOS/c1-2-3-4-5-8(11)9(13)10-12-6-7-14-10/h6-9,13H,2-5H2,1H3
InChIKeyUCHDIERZTBBMJN-UHFFFAOYSA-N
XLogP3.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-thiazol-2-yl)octan-1-ol
CID 10943825
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
CID 114078531
[(1R)-1-(1,3-thiazol-2-yl)octyl] butanoate
CID 10684418
1-(1,3-thiazol-2-yl)butane-1,2,4-triol
CID 171871689
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
3-(4-hexoxyphenyl)-1-(1,3-thiazol-2-yl)propan-1-ol
CID 67224774
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
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
2-(1,3-thiazol-2-yl)butan-1-ol
CID 116987101
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol?
The IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol (CID 137426861) is 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol.
What is the SMILES notation for 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol?
The canonical SMILES for 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol is CCCCCC(F)C(O)c1nccs1.
What is the InChIKey of 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol?
The InChIKey is UCHDIERZTBBMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNOS/c1-2-3-4-5-8(11)9(13)10-12-6-7-14-10/h6-9,13H,2-5H2,1H3.
What are the key properties of 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol?
2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol is sourced from PubChem (CID 137426861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).