1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol

C16H12FNOS — CID 11323610

IUPAC1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol
SMILESC=CC(O)(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C16H12FNOS/c1-2-16(19,11-7-9-12(17)10-8-11)15-18-13-5-3-4-6-14(13)20-15/h2-10,19H,1H2
InChIKeyYYFMNHAGGQORQT-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.86
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol

1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol (PubChem CID 11323610) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol
PubChem CID11323610
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol
SMILESC=CC(O)(c1ccc(F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C16H12FNOS/c1-2-16(19,11-7-9-12(17)10-8-11)15-18-13-5-3-4-6-14(13)20-15/h2-10,19H,1H2
InChIKeyYYFMNHAGGQORQT-UHFFFAOYSA-N
XLogP3.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-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

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol (CID 11323610) is 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol is C=CC(O)(c1ccc(F)cc1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol?
The InChIKey is YYFMNHAGGQORQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c1-2-16(19,11-7-9-12(17)10-8-11)15-18-13-5-3-4-6-14(13)20-15/h2-10,19H,1H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol?
1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol has a molecular weight of 285.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 11323610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).