N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride

C12H9ClN4O4S — CID 156613225

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCl.Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
InChIInChI=1S/C12H8N4O4S.ClH/c13-6-1-2-7-9(5-6)21-12(14-7)15-11(17)8-3-4-10(20-8)16(18)19;/h1-5H,13H2,(H,14,15,17);1H
InChIKeyGHEVFRVUSOOAGM-UHFFFAOYSA-N
MW340.75 g/mol
LogP3.05
Rot. Bonds3

About N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride

N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride (PubChem CID 156613225) has the molecular formula C12H9ClN4O4S and a molecular weight of 340.75 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
PubChem CID156613225
Molecular FormulaC12H9ClN4O4S
Molecular Weight340.75 g/mol
Exact Mass340.00
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCl.Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
InChIInChI=1S/C12H8N4O4S.ClH/c13-6-1-2-7-9(5-6)21-12(14-7)15-11(17)8-3-4-10(20-8)16(18)19;/h1-5H,13H2,(H,14,15,17);1H
InChIKeyGHEVFRVUSOOAGM-UHFFFAOYSA-N
XLogP3.05
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-5-chlorofuran-2-carboxamide
CID 106683087
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(5-amino-2-fluorophenyl)-5-nitrofuran-2-carboxamide
CID 43600127
5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16938418
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 2799186
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-3-methylfuran-2-carboxamide
CID 16794893
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride (CID 156613225) is N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride is Cl.Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
The InChIKey is GHEVFRVUSOOAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4S.ClH/c13-6-1-2-7-9(5-6)21-12(14-7)15-11(17)8-3-4-10(20-8)16(18)19;/h1-5H,13H2,(H,14,15,17);1H.
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride?
N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride has a molecular weight of 340.75 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 156613225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).