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

C12H9N3OS2 — CID 16781152

IUPACN-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESNc1ccc2nc(NC(=O)c3ccsc3)sc2c1
InChIInChI=1S/C12H9N3OS2/c13-8-1-2-9-10(5-8)18-12(14-9)15-11(16)7-3-4-17-6-7/h1-6H,13H2,(H,14,15,16)
InChIKeyISYNTYJXKPTKMX-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.19
Rot. Bonds2

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

N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (PubChem CID 16781152) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
PubChem CID16781152
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
SMILESNc1ccc2nc(NC(=O)c3ccsc3)sc2c1
InChIInChI=1S/C12H9N3OS2/c13-8-1-2-9-10(5-8)18-12(14-9)15-11(16)7-3-4-17-6-7/h1-6H,13H2,(H,14,15,16)
InChIKeyISYNTYJXKPTKMX-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
CID 107959275
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
N-(6-amino-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 28742337
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
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide (CID 16781152) is N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide is Nc1ccc2nc(NC(=O)c3ccsc3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is ISYNTYJXKPTKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c13-8-1-2-9-10(5-8)18-12(14-9)15-11(16)7-3-4-17-6-7/h1-6H,13H2,(H,14,15,16).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide?
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 3.19, 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)thiophene-3-carboxamide is sourced from PubChem (CID 16781152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).