5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide

C12H11FN2OS — CID 11579690

IUPAC5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide
SMILESCNc1cc(-c2ccc(F)cc2)sc1C(N)=O
InChIInChI=1S/C12H11FN2OS/c1-15-9-6-10(17-11(9)12(14)16)7-2-4-8(13)5-3-7/h2-6,15H,1H3,(H2,14,16)
InChIKeySULJIRXHWLGDPH-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.69
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide

5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide (PubChem CID 11579690) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide
PubChem CID11579690
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide
SMILESCNc1cc(-c2ccc(F)cc2)sc1C(N)=O
InChIInChI=1S/C12H11FN2OS/c1-15-9-6-10(17-11(9)12(14)16)7-2-4-8(13)5-3-7/h2-6,15H,1H3,(H2,14,16)
InChIKeySULJIRXHWLGDPH-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide (CID 11579690) is 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide is CNc1cc(-c2ccc(F)cc2)sc1C(N)=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide?
The InChIKey is SULJIRXHWLGDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-15-9-6-10(17-11(9)12(14)16)7-2-4-8(13)5-3-7/h2-6,15H,1H3,(H2,14,16).
What are the key properties of 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide?
5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(methylamino)thiophene-2-carboxamide is sourced from PubChem (CID 11579690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).