4-amino-1-benzothiophene-2-carboxamide

C9H8N2OS — CID 142819762

IUPAC4-amino-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2c(N)cccc2s1
InChIInChI=1S/C9H8N2OS/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKeyLYMFAYAEAWCRLN-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.58
Rot. Bonds1

About 4-amino-1-benzothiophene-2-carboxamide

4-amino-1-benzothiophene-2-carboxamide (PubChem CID 142819762) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-amino-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-benzothiophene-2-carboxamide
PubChem CID142819762
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-amino-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2c(N)cccc2s1
InChIInChI=1S/C9H8N2OS/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKeyLYMFAYAEAWCRLN-UHFFFAOYSA-N
XLogP1.58
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-amino-1-benzothiophene-2-carboxamide (CID 142819762) is 4-amino-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-amino-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-amino-1-benzothiophene-2-carboxamide is NC(=O)c1cc2c(N)cccc2s1.
What is the InChIKey of 4-amino-1-benzothiophene-2-carboxamide?
The InChIKey is LYMFAYAEAWCRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,10H2,(H2,11,12).
What are the key properties of 4-amino-1-benzothiophene-2-carboxamide?
4-amino-1-benzothiophene-2-carboxamide has a molecular weight of 192.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142819762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).