2-amino-5-benzyl-4-methylthiophene-3-carboxamide

C13H14N2OS — CID 722048

IUPAC2-amino-5-benzyl-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(N)c1C(N)=O
InChIInChI=1S/C13H14N2OS/c1-8-10(7-9-5-3-2-4-6-9)17-13(15)11(8)12(14)16/h2-6H,7,15H2,1H3,(H2,14,16)
InChIKeySVRNCQRVCHVFGG-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-5-benzyl-4-methylthiophene-3-carboxamide

2-amino-5-benzyl-4-methylthiophene-3-carboxamide (PubChem CID 722048) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-amino-5-benzyl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzyl-4-methylthiophene-3-carboxamide
PubChem CID722048
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-amino-5-benzyl-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccccc2)sc(N)c1C(N)=O
InChIInChI=1S/C13H14N2OS/c1-8-10(7-9-5-3-2-4-6-9)17-13(15)11(8)12(14)16/h2-6H,7,15H2,1H3,(H2,14,16)
InChIKeySVRNCQRVCHVFGG-UHFFFAOYSA-N
XLogP2.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4H,5H,6H,7H,8H-cyclohepta(b)thiophene-3-carboxamide
CID 2997881
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
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
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
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 616673
3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 686161
5'-Amino-(2,3'-bithiophene)-4'-carboxamide
CID 898663
2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
CID 712900

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzyl-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-benzyl-4-methylthiophene-3-carboxamide (CID 722048) is 2-amino-5-benzyl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-benzyl-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-benzyl-4-methylthiophene-3-carboxamide is Cc1c(Cc2ccccc2)sc(N)c1C(N)=O.
What is the InChIKey of 2-amino-5-benzyl-4-methylthiophene-3-carboxamide?
The InChIKey is SVRNCQRVCHVFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-10(7-9-5-3-2-4-6-9)17-13(15)11(8)12(14)16/h2-6H,7,15H2,1H3,(H2,14,16).
What are the key properties of 2-amino-5-benzyl-4-methylthiophene-3-carboxamide?
2-amino-5-benzyl-4-methylthiophene-3-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzyl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 722048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).