3-amino-5-bromo-1-benzothiophene-2-carboxamide

C9H7BrN2OS — CID 59656640

IUPAC3-amino-5-bromo-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C9H7BrN2OS/c10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13/h1-3H,11H2,(H2,12,13)
InChIKeyJNGSIBFEPAQHMO-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.34
Rot. Bonds1

About 3-amino-5-bromo-1-benzothiophene-2-carboxamide

3-amino-5-bromo-1-benzothiophene-2-carboxamide (PubChem CID 59656640) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 3-amino-5-bromo-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-1-benzothiophene-2-carboxamide
PubChem CID59656640
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name3-amino-5-bromo-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C9H7BrN2OS/c10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13/h1-3H,11H2,(H2,12,13)
InChIKeyJNGSIBFEPAQHMO-UHFFFAOYSA-N
XLogP2.34
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-1-benzothiophene-2-carboxamide (CID 59656640) is 3-amino-5-bromo-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-1-benzothiophene-2-carboxamide is NC(=O)c1sc2ccc(Br)cc2c1N.
What is the InChIKey of 3-amino-5-bromo-1-benzothiophene-2-carboxamide?
The InChIKey is JNGSIBFEPAQHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13/h1-3H,11H2,(H2,12,13).
What are the key properties of 3-amino-5-bromo-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-1-benzothiophene-2-carboxamide has a molecular weight of 271.14 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 59656640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).