5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

C13H8N4O4S — CID 764647

IUPAC5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H8N4O4S/c18-12(10-4-5-11(21-10)17(19)20)16-13-15-9(7-22-13)8-3-1-2-6-14-8/h1-7H,(H,15,16,18)
InChIKeyGMFTUXQMPOLTIV-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.96
Rot. Bonds4

About 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 764647) has the molecular formula C13H8N4O4S and a molecular weight of 316.30 g/mol. Its IUPAC name is 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID764647
Molecular FormulaC13H8N4O4S
Molecular Weight316.30 g/mol
Exact Mass316.03
IUPAC Name5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H8N4O4S/c18-12(10-4-5-11(21-10)17(19)20)16-13-15-9(7-22-13)8-3-1-2-6-14-8/h1-7H,(H,15,16,18)
InChIKeyGMFTUXQMPOLTIV-UHFFFAOYSA-N
XLogP2.96
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 764647) is 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is GMFTUXQMPOLTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O4S/c18-12(10-4-5-11(21-10)17(19)20)16-13-15-9(7-22-13)8-3-1-2-6-14-8/h1-7H,(H,15,16,18).
What are the key properties of 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 316.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 764647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).