N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide

C12H7N3O4S — CID 618279

IUPACN-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H7N3O4S/c16-11(8-5-6-10(19-8)15(17)18)14-12-13-7-3-1-2-4-9(7)20-12/h1-6H,(H,13,14,16)
InChIKeyINEMNYHCDSBKGP-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.05
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 618279) has the molecular formula C12H7N3O4S and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID618279
Molecular FormulaC12H7N3O4S
Molecular Weight289.27 g/mol
Exact Mass289.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H7N3O4S/c16-11(8-5-6-10(19-8)15(17)18)14-12-13-7-3-1-2-4-9(7)20-12/h1-6H,(H,13,14,16)
InChIKeyINEMNYHCDSBKGP-UHFFFAOYSA-N
XLogP3.05
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952238
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 3157809
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
[4-(4-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 7292609
(4-(4-Chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 7292627
(4-(4-Methoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 7539374
[4-(4,6-Difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 7539642

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide (CID 618279) is N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is INEMNYHCDSBKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O4S/c16-11(8-5-6-10(19-8)15(17)18)14-12-13-7-3-1-2-4-9(7)20-12/h1-6H,(H,13,14,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 289.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 618279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).