2-amino-5-benzylthiophene-3-carboxamide

C12H12N2OS — CID 3853457

IUPAC2-amino-5-benzylthiophene-3-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1N
InChIInChI=1S/C12H12N2OS/c13-11(15)10-7-9(16-12(10)14)6-8-4-2-1-3-5-8/h1-5,7H,6,14H2,(H2,13,15)
InChIKeyMLMZWPGWTMIMON-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-5-benzylthiophene-3-carboxamide

2-amino-5-benzylthiophene-3-carboxamide (PubChem CID 3853457) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-amino-5-benzylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzylthiophene-3-carboxamide
PubChem CID3853457
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-amino-5-benzylthiophene-3-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)sc1N
InChIInChI=1S/C12H12N2OS/c13-11(15)10-7-9(16-12(10)14)6-8-4-2-1-3-5-8/h1-5,7H,6,14H2,(H2,13,15)
InChIKeyMLMZWPGWTMIMON-UHFFFAOYSA-N
XLogP2.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
3-Amino-5-(3-thienyl)thiophene-2-carboxamide
CID 2807869
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 290223
2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
PD 81723
CID 122028
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
(2-Amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(3-methylphenyl)methanone
CID 2454977
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 686161
5'-Amino-(2,3'-bithiophene)-4'-carboxamide
CID 898663
N-hydroxy-5-phenylthiophene-2-carboxamide
CID 25002768
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-benzylthiophene-3-carboxamide (CID 3853457) is 2-amino-5-benzylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-benzylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-benzylthiophene-3-carboxamide is NC(=O)c1cc(Cc2ccccc2)sc1N.
What is the InChIKey of 2-amino-5-benzylthiophene-3-carboxamide?
The InChIKey is MLMZWPGWTMIMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-11(15)10-7-9(16-12(10)14)6-8-4-2-1-3-5-8/h1-5,7H,6,14H2,(H2,13,15).
What are the key properties of 2-amino-5-benzylthiophene-3-carboxamide?
2-amino-5-benzylthiophene-3-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzylthiophene-3-carboxamide is sourced from PubChem (CID 3853457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).