2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde

C10H6FNOS — CID 130922532

IUPAC2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde
SMILESO=Cc1cccc(-c2ccsn2)c1F
InChIInChI=1S/C10H6FNOS/c11-10-7(6-13)2-1-3-8(10)9-4-5-14-12-9/h1-6H
InChIKeyUNKWOVONDACFLK-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.76
Rot. Bonds2

About 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde

2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde (PubChem CID 130922532) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde
PubChem CID130922532
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde
SMILESO=Cc1cccc(-c2ccsn2)c1F
InChIInChI=1S/C10H6FNOS/c11-10-7(6-13)2-1-3-8(10)9-4-5-14-12-9/h1-6H
InChIKeyUNKWOVONDACFLK-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'}

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Related Compounds

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-4-carbaldehyde
CID 122477201
3-[4-(Trifluoromethyl)phenyl]-1,2-thiazole-5-carbaldehyde
CID 122477411
3-(4-Fluoro-2-iodophenyl)-1,2-thiazole-4-carbaldehyde
CID 163771341
3-(3-Ethyl-1,2-thiazol-4-yl)-5-fluorobenzamide
CID 167117396
5-(2-Fluorophenyl)-1,2-thiazole-3-carbaldehyde
CID 83820177
5-(3-Fluorophenyl)-1,2-thiazole-3-carbaldehyde
CID 83820178
5-(4-Fluorophenyl)-1,2-thiazole-3-carbaldehyde
CID 83820179

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde?
The IUPAC name of 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde (CID 130922532) is 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde is O=Cc1cccc(-c2ccsn2)c1F.
What is the InChIKey of 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde?
The InChIKey is UNKWOVONDACFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c11-10-7(6-13)2-1-3-8(10)9-4-5-14-12-9/h1-6H.
What are the key properties of 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde?
2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde 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 2-fluoro-3-(1,2-thiazol-3-yl)benzaldehyde is sourced from PubChem (CID 130922532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).