5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde

C16H9ClFNO2S — CID 155143380

IUPAC5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2cnc(-c3ccc(Cl)cc3)s2)cc(F)c1O
InChIInChI=1S/C16H9ClFNO2S/c17-12-3-1-9(2-4-12)16-19-7-14(22-16)10-5-11(8-20)15(21)13(18)6-10/h1-8,21H
InChIKeyGKVIGEBXNWGZMY-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.79
Rot. Bonds3

About 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde

5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde (PubChem CID 155143380) has the molecular formula C16H9ClFNO2S and a molecular weight of 333.77 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde
PubChem CID155143380
Molecular FormulaC16H9ClFNO2S
Molecular Weight333.77 g/mol
Exact Mass333.00
IUPAC Name5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2cnc(-c3ccc(Cl)cc3)s2)cc(F)c1O
InChIInChI=1S/C16H9ClFNO2S/c17-12-3-1-9(2-4-12)16-19-7-14(22-16)10-5-11(8-20)15(21)13(18)6-10/h1-8,21H
InChIKeyGKVIGEBXNWGZMY-UHFFFAOYSA-N
XLogP4.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde 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 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde (CID 155143380) is 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde is O=Cc1cc(-c2cnc(-c3ccc(Cl)cc3)s2)cc(F)c1O.
What is the InChIKey of 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is GKVIGEBXNWGZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO2S/c17-12-3-1-9(2-4-12)16-19-7-14(22-16)10-5-11(8-20)15(21)13(18)6-10/h1-8,21H.
What are the key properties of 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde?
5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde has a molecular weight of 333.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 155143380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).