N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide

C12H8BrN3OS2 — CID 107959275

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
SMILESNc1ccc2nc(NC(=O)c3csc(Br)c3)sc2c1
InChIInChI=1S/C12H8BrN3OS2/c13-10-3-6(5-18-10)11(17)16-12-15-8-2-1-7(14)4-9(8)19-12/h1-5H,14H2,(H,15,16,17)
InChIKeyPKJWCTDJNYKWCL-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.95
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide

N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide (PubChem CID 107959275) has the molecular formula C12H8BrN3OS2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
PubChem CID107959275
Molecular FormulaC12H8BrN3OS2
Molecular Weight354.25 g/mol
Exact Mass352.93
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
SMILESNc1ccc2nc(NC(=O)c3csc(Br)c3)sc2c1
InChIInChI=1S/C12H8BrN3OS2/c13-10-3-6(5-18-10)11(17)16-12-15-8-2-1-7(14)4-9(8)19-12/h1-5H,14H2,(H,15,16,17)
InChIKeyPKJWCTDJNYKWCL-UHFFFAOYSA-N
XLogP3.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
N-(6-amino-1,3-benzothiazol-2-yl)-2-bromo-6-fluorobenzamide
CID 114558355
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dibromo-1H-pyrrole-2-carboxamide
CID 134146043
N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 28742337
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 24692699
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523
4-amino-N-[6-[[2-[(4-aminobenzoyl)amino]-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]benzamide
CID 4205104

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide (CID 107959275) is N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide is Nc1ccc2nc(NC(=O)c3csc(Br)c3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide?
The InChIKey is PKJWCTDJNYKWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS2/c13-10-3-6(5-18-10)11(17)16-12-15-8-2-1-7(14)4-9(8)19-12/h1-5H,14H2,(H,15,16,17).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 107959275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).