5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid

C12H8FNO3S — CID 91168154

IUPAC5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid
SMILESO=CNc1cc(-c2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C12H8FNO3S/c13-8-3-1-7(2-4-8)10-5-9(14-6-15)11(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyAQECJZRRJLRCLG-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.82
Rot. Bonds4

About 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid

5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid (PubChem CID 91168154) has the molecular formula C12H8FNO3S and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid
PubChem CID91168154
Molecular FormulaC12H8FNO3S
Molecular Weight265.26 g/mol
Exact Mass265.02
IUPAC Name5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid
SMILESO=CNc1cc(-c2ccc(F)cc2)sc1C(=O)O
InChIInChI=1S/C12H8FNO3S/c13-8-3-1-7(2-4-8)10-5-9(14-6-15)11(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyAQECJZRRJLRCLG-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-{isopropyl[(Trans-4-Methylcyclohexyl)carbonyl]amino}-5-Phenylthiophene-2-Carboxylic Acid
CID 503536
2-(Thiophene-2-amido)benzoic acid
CID 643302
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
CID 619692
2-(thiophen-3-ylmethylamino)benzoic Acid
CID 1939718
NEP inhibitor, 6k
CID 9797197
3-[(4-Methylbenzoyl)amino]-2-thiophene-carboxylic acid
CID 1485385
3-(Benzoylamino)-2-thiophenecarboxylic acid
CID 2764129
2-[(2-Thienylmethyl)amino]benzoic acid
CID 6472859
2-{[3-Oxo-3-(2-thienyl)-1-propen-1-yl]amino}benzoic acid
CID 2208936
Methyl 3-(4-fluorobenzamido)-5-phenylthiophene-2-carboxylate
CID 3669658
(E)-4-[[5-(4-tert-butylphenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid
CID 5714545

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid (CID 91168154) is 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid is O=CNc1cc(-c2ccc(F)cc2)sc1C(=O)O.
What is the InChIKey of 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid?
The InChIKey is AQECJZRRJLRCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO3S/c13-8-3-1-7(2-4-8)10-5-9(14-6-15)11(18-10)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid?
5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-formamidothiophene-2-carboxylic acid is sourced from PubChem (CID 91168154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).