5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide

C12H10ClN3O2S — CID 54771193

IUPAC5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1sc(N)c(C(N)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O2S/c13-6-3-1-5(2-4-6)7-8(10(14)17)12(16)19-9(7)11(15)18/h1-4H,16H2,(H2,14,17)(H2,15,18)
InChIKeyNZTHYDINBWVYKJ-UHFFFAOYSA-N
MW295.75 g/mol
LogP1.85
Rot. Bonds3

About 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide

5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide (PubChem CID 54771193) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide
PubChem CID54771193
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1sc(N)c(C(N)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O2S/c13-6-3-1-5(2-4-6)7-8(10(14)17)12(16)19-9(7)11(15)18/h1-4H,16H2,(H2,14,17)(H2,15,18)
InChIKeyNZTHYDINBWVYKJ-UHFFFAOYSA-N
XLogP1.85
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide (CID 54771193) is 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide is NC(=O)c1sc(N)c(C(N)=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide?
The InChIKey is NZTHYDINBWVYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-6-3-1-5(2-4-6)7-8(10(14)17)12(16)19-9(7)11(15)18/h1-4H,16H2,(H2,14,17)(H2,15,18).
What are the key properties of 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide?
5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide has a molecular weight of 295.75 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-chlorophenyl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 54771193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).