5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde

C10H6FNOS — CID 83820178

IUPAC5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccc(F)c2)sn1
InChIInChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-5-9(6-13)12-14-10/h1-6H
InChIKeyWUGGECGFKVEPNS-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.76
Rot. Bonds2

About 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde

5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde (PubChem CID 83820178) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde
PubChem CID83820178
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccc(F)c2)sn1
InChIInChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-5-9(6-13)12-14-10/h1-6H
InChIKeyWUGGECGFKVEPNS-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde 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

1,2-Benzothiazole-3-carbaldehyde
CID 12607119
3-Benzoyl-1,2-thiazole
CID 18704552
Benzaldehyde, 3-(3-methyl-5-isothiazolyl)-
CID 75175940
1-(4-Fluorophenyl)-2-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
CID 15239216
1-[4-(Trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
CID 15239217
2-(4-Fluorophenyl)-1-[3-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
CID 57070651
3-[4-(Trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde
CID 122477411
2-Fluoro-3-(1,2-thiazol-3-yl)benzaldehyde
CID 130922532
1,2-Benzothiazole-3-carbonyl fluoride
CID 140131816
5-(4-Fluorophenyl)-1,2-thiazole-3-carbonyl chloride
CID 162729205
5-(4-fluorophenyl)-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
CID 162729282
3-[(3,4,5-Trifluorophenyl)methyl]-1,2-thiazole-5-carboxamide
CID 174867024

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde?
The IUPAC name of 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde (CID 83820178) is 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde.
What is the SMILES notation for 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde?
The canonical SMILES for 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde is O=Cc1cc(-c2cccc(F)c2)sn1.
What is the InChIKey of 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde?
The InChIKey is WUGGECGFKVEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c11-8-3-1-2-7(4-8)10-5-9(6-13)12-14-10/h1-6H.
What are the key properties of 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde?
5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1,2-thiazole-3-carbaldehyde is sourced from PubChem (CID 83820178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).