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

C11H8FNO2S2 — CID 43664403

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C11H8FNO2S2/c12-7-1-3-9(4-2-7)16-5-8-6-17-10(13-8)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyBVPZAUOORGXFST-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.27
Rot. Bonds4

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

4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 43664403) has the molecular formula C11H8FNO2S2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
PubChem CID43664403
Molecular FormulaC11H8FNO2S2
Molecular Weight269.32 g/mol
Exact Mass269.00
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CSc2ccc(F)cc2)cs1
InChIInChI=1S/C11H8FNO2S2/c12-7-1-3-9(4-2-7)16-5-8-6-17-10(13-8)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyBVPZAUOORGXFST-UHFFFAOYSA-N
XLogP3.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid 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 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid (CID 43664403) is 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CSc2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is BVPZAUOORGXFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S2/c12-7-1-3-9(4-2-7)16-5-8-6-17-10(13-8)11(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid?
4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).