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

C8H12N2OS — CID 12516885

IUPAC2-amino-5-ethyl-4-methylthiophene-3-carboxamide
SMILESCCc1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C8H12N2OS/c1-3-5-4(2)6(7(9)11)8(10)12-5/h3,10H2,1-2H3,(H2,9,11)
InChIKeyLFWPAVXALKTUSK-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.30
Rot. Bonds2

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

2-amino-5-ethyl-4-methylthiophene-3-carboxamide (PubChem CID 12516885) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-ethyl-4-methylthiophene-3-carboxamide
PubChem CID12516885
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-amino-5-ethyl-4-methylthiophene-3-carboxamide
SMILESCCc1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C8H12N2OS/c1-3-5-4(2)6(7(9)11)8(10)12-5/h3,10H2,1-2H3,(H2,9,11)
InChIKeyLFWPAVXALKTUSK-UHFFFAOYSA-N
XLogP1.30
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.30
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-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
2-Amino-4,5-dimethylthiophene-3-carboxamide
CID 592827
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 611038
2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 616673
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 614439
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862027
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2852749
2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
CID 722048
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2861874
2-Amino-4,5,6,7-tetrahydro-6-propylbenzo(b)thiophene-3-carboxamide
CID 2887357

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-ethyl-4-methylthiophene-3-carboxamide (CID 12516885) is 2-amino-5-ethyl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-ethyl-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-ethyl-4-methylthiophene-3-carboxamide is CCc1sc(N)c(C(N)=O)c1C.
What is the InChIKey of 2-amino-5-ethyl-4-methylthiophene-3-carboxamide?
The InChIKey is LFWPAVXALKTUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-5-4(2)6(7(9)11)8(10)12-5/h3,10H2,1-2H3,(H2,9,11).
What are the key properties of 2-amino-5-ethyl-4-methylthiophene-3-carboxamide?
2-amino-5-ethyl-4-methylthiophene-3-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 12516885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).