3-amino-1-benzothiophene-2-carboxamide

C9H8N2OS — CID 821974

IUPAC3-amino-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C9H8N2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKeyLTNWICBPQWPXDK-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.58
Rot. Bonds1

About 3-amino-1-benzothiophene-2-carboxamide

3-amino-1-benzothiophene-2-carboxamide (PubChem CID 821974) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-amino-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-1-benzothiophene-2-carboxamide
PubChem CID821974
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-amino-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccccc2c1N
InChIInChI=1S/C9H8N2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKeyLTNWICBPQWPXDK-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

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Related Compounds

3-Amino-5-(3-thienyl)thiophene-2-carboxamide
CID 2807869
2-Amino-5-phenylthiophene-3-carboxamide
CID 703965
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
2-Acetyl-3-Amino-5-Phenylthiophene
CID 2807849
2-Amino-5-benzyl-4-methyl-3-thiophenecarboxamide
CID 722048
3-Amino-5-phenylthiophene-2-carbohydrazide
CID 2117574
2-(Benzylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-ol
CID 135439809
3-Amino-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 2782903
1-Benzothiophene-2-carboxamide
CID 237073
2-Amino-5-benzylthiophene-3-carboxamide
CID 3853457
3-Phenyl-[1]benzothiolo[3,2-d]triazin-4-one
CID 118706321
3-Amino-5-[4-(tert-butyl)phenyl]thiophene-2-carboxamide
CID 2735292

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-1-benzothiophene-2-carboxamide (CID 821974) is 3-amino-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-1-benzothiophene-2-carboxamide is NC(=O)c1sc2ccccc2c1N.
What is the InChIKey of 3-amino-1-benzothiophene-2-carboxamide?
The InChIKey is LTNWICBPQWPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12).
What are the key properties of 3-amino-1-benzothiophene-2-carboxamide?
3-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 3-amino-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 821974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).