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

C11H8FNO2S2 — CID 66052850

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CSc2ccccc2F)n1
InChIInChI=1S/C11H8FNO2S2/c12-7-3-1-2-4-9(7)16-6-10-13-8(5-17-10)11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyXVJGOAJISDXDSK-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.27
Rot. Bonds4

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

2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66052850) has the molecular formula C11H8FNO2S2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66052850
Molecular FormulaC11H8FNO2S2
Molecular Weight269.32 g/mol
Exact Mass269.00
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CSc2ccccc2F)n1
InChIInChI=1S/C11H8FNO2S2/c12-7-3-1-2-4-9(7)16-6-10-13-8(5-17-10)11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyXVJGOAJISDXDSK-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

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Related Compounds

1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66051369
2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-4-carboxylic acid
CID 65134443
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
methyl 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylate
CID 113306479
3-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66053301
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid
CID 83394159
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-[[(2-propan-2-ylsulfanylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99605644
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694
2-[(1-phenylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379173
2-[2-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82295816

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid (CID 66052850) is 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CSc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XVJGOAJISDXDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S2/c12-7-3-1-2-4-9(7)16-6-10-13-8(5-17-10)11(14)15/h1-5H,6H2,(H,14,15).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-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 2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66052850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).