N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide

C13H9N3O5S — CID 952238

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
InChIInChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
InChIKeyGWUVRBRWNNWQJC-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.06
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 952238) has the molecular formula C13H9N3O5S and a molecular weight of 319.30 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID952238
Molecular FormulaC13H9N3O5S
Molecular Weight319.30 g/mol
Exact Mass319.03
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1
InChIInChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17)
InChIKeyGWUVRBRWNNWQJC-UHFFFAOYSA-N
XLogP3.06
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
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)-5-nitrofuran-2-carboxamide
CID 618279
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
(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
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 834435
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952237
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2370425

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide (CID 952238) is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide is COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is GWUVRBRWNNWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5S/c1-20-7-2-3-8-10(6-7)22-13(14-8)15-12(17)9-4-5-11(21-9)16(18)19/h2-6H,1H3,(H,14,15,17).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 319.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 952238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).