N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide

C19H12N4O4S — CID 7543364

IUPACN-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(c1ccccc1)N(/N=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1
InChIInChI=1S/C19H12N4O4S/c24-18(13-6-2-1-3-7-13)22(19-21-15-8-4-5-9-16(15)28-19)20-12-14-10-11-17(27-14)23(25)26/h1-12H/b20-12-
InChIKeyICKQFNBJPGQDNC-NDENLUEZSA-N
MW392.40 g/mol
LogP4.48
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide

N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide (PubChem CID 7543364) has the molecular formula C19H12N4O4S and a molecular weight of 392.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
PubChem CID7543364
Molecular FormulaC19H12N4O4S
Molecular Weight392.40 g/mol
Exact Mass392.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
SMILESO=C(c1ccccc1)N(/N=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1
InChIInChI=1S/C19H12N4O4S/c24-18(13-6-2-1-3-7-13)22(19-21-15-8-4-5-9-16(15)28-19)20-12-14-10-11-17(27-14)23(25)26/h1-12H/b20-12-
InChIKeyICKQFNBJPGQDNC-NDENLUEZSA-N
XLogP4.48
TPSA101.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44943712
N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenoxybenzamide
CID 44944981
3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44946142
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxamide
CID 7543519
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44943798
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 44943789
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44946222
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 7543708
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44944944
N-(6-bromo-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44942579
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
CID 44942544
4-(azepan-1-ylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 44946162

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide (CID 7543364) is N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is O=C(c1ccccc1)N(/N=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
The InChIKey is ICKQFNBJPGQDNC-NDENLUEZSA-N. The full InChI is InChI=1S/C19H12N4O4S/c24-18(13-6-2-1-3-7-13)22(19-21-15-8-4-5-9-16(15)28-19)20-12-14-10-11-17(27-14)23(25)26/h1-12H/b20-12-.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide?
N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide has a molecular weight of 392.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 7543364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).