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

C10H6FNOS — CID 130251185

IUPAC4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(F)cc1-c1nccs1
InChIInChI=1S/C10H6FNOS/c11-8-2-1-7(6-13)9(5-8)10-12-3-4-14-10/h1-6H
InChIKeyPRNZBHSYXMQRKC-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.76
Rot. Bonds2

About 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde

4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde (PubChem CID 130251185) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde
PubChem CID130251185
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(F)cc1-c1nccs1
InChIInChI=1S/C10H6FNOS/c11-8-2-1-7(6-13)9(5-8)10-12-3-4-14-10/h1-6H
InChIKeyPRNZBHSYXMQRKC-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde?
The IUPAC name of 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde (CID 130251185) is 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde.
What is the SMILES notation for 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde?
The canonical SMILES for 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde is O=Cc1ccc(F)cc1-c1nccs1.
What is the InChIKey of 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde?
The InChIKey is PRNZBHSYXMQRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c11-8-2-1-7(6-13)9(5-8)10-12-3-4-14-10/h1-6H.
What are the key properties of 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde?
4-fluoro-2-(1,3-thiazol-2-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 4-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde is sourced from PubChem (CID 130251185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).