2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C8H10N2OS — CID 596881

IUPAC2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CCC2
InChIInChI=1S/C8H10N2OS/c9-7(11)6-4-2-1-3-5(4)12-8(6)10/h1-3,10H2,(H2,9,11)
InChIKeyCIYGFKXNRTYHLB-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.92
Rot. Bonds1

About 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 596881) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID596881
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(N)sc2c1CCC2
InChIInChI=1S/C8H10N2OS/c9-7(11)6-4-2-1-3-5(4)12-8(6)10/h1-3,10H2,(H2,9,11)
InChIKeyCIYGFKXNRTYHLB-UHFFFAOYSA-N
XLogP0.92
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.92
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-4,5-dimethylthiophene-3-carboxamide
CID 592827
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-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3000134
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
2-(pentanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2941851
2-acetamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3153446
2-(methylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 7234547
3-benzoyl-4H,5H,6H-cyclopenta[b]thiophen-2-amine
CID 14241840

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 596881) is 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is NC(=O)c1c(N)sc2c1CCC2.
What is the InChIKey of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is CIYGFKXNRTYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-7(11)6-4-2-1-3-5(4)12-8(6)10/h1-3,10H2,(H2,9,11).
What are the key properties of 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 596881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).