2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde

C11H8FNOS2 — CID 66073284

IUPAC2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CSc2cccc(F)c2)n1
InChIInChI=1S/C11H8FNOS2/c12-8-2-1-3-10(4-8)15-7-11-13-9(5-14)6-16-11/h1-6H,7H2
InChIKeyVHPDMZUUJFRBLK-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.39
Rot. Bonds4

About 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde

2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 66073284) has the molecular formula C11H8FNOS2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde
PubChem CID66073284
Molecular FormulaC11H8FNOS2
Molecular Weight253.32 g/mol
Exact Mass253.00
IUPAC Name2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(CSc2cccc(F)c2)n1
InChIInChI=1S/C11H8FNOS2/c12-8-2-1-3-10(4-8)15-7-11-13-9(5-14)6-16-11/h1-6H,7H2
InChIKeyVHPDMZUUJFRBLK-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde 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 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde (CID 66073284) is 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde is O=Cc1csc(CSc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is VHPDMZUUJFRBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS2/c12-8-2-1-3-10(4-8)15-7-11-13-9(5-14)6-16-11/h1-6H,7H2.
What are the key properties of 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde?
2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 253.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 66073284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).