5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

C13H13N3O2S — CID 737136

IUPAC5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(N)c1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-7-9(11(14)17)12(15)19-10(7)13(18)16-8-5-3-2-4-6-8/h2-6H,15H2,1H3,(H2,14,17)(H,16,18)
InChIKeyHUXCUBHSRXMRRQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide

5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (PubChem CID 737136) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
PubChem CID737136
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc(N)c1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-7-9(11(14)17)12(15)19-10(7)13(18)16-8-5-3-2-4-6-8/h2-6H,15H2,1H3,(H2,14,17)(H,16,18)
InChIKeyHUXCUBHSRXMRRQ-UHFFFAOYSA-N
XLogP1.99
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.99
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-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide (CID 737136) is 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccccc2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
The InChIKey is HUXCUBHSRXMRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-9(11(14)17)12(15)19-10(7)13(18)16-8-5-3-2-4-6-8/h2-6H,15H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide?
5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 737136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).