2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid

C7H8N2O3S — CID 82397516

IUPAC2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
SMILESCc1c(C(N)=O)sc(N)c1C(=O)O
InChIInChI=1S/C7H8N2O3S/c1-2-3(7(11)12)6(9)13-4(2)5(8)10/h9H2,1H3,(H2,8,10)(H,11,12)
InChIKeyWDEMQPWPQJOCNE-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.44
Rot. Bonds2

About 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid

2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid (PubChem CID 82397516) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
PubChem CID82397516
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
SMILESCc1c(C(N)=O)sc(N)c1C(=O)O
InChIInChI=1S/C7H8N2O3S/c1-2-3(7(11)12)6(9)13-4(2)5(8)10/h9H2,1H3,(H2,8,10)(H,11,12)
InChIKeyWDEMQPWPQJOCNE-UHFFFAOYSA-N
XLogP0.44
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.44
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 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid (CID 82397516) is 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid is Cc1c(C(N)=O)sc(N)c1C(=O)O.
What is the InChIKey of 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid?
The InChIKey is WDEMQPWPQJOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-2-3(7(11)12)6(9)13-4(2)5(8)10/h9H2,1H3,(H2,8,10)(H,11,12).
What are the key properties of 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid?
2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 82397516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).