N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide

C10H8N4O4S — CID 17146135

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H8N4O4S/c15-8(6-3-4-7(18-6)14(16)17)11-10-13-12-9(19-10)5-1-2-5/h3-5H,1-2H2,(H,11,13,15)
InChIKeyLIRRYGUILSVRRA-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.17
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 17146135) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID17146135
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H8N4O4S/c15-8(6-3-4-7(18-6)14(16)17)11-10-13-12-9(19-10)5-1-2-5/h3-5H,1-2H2,(H,11,13,15)
InChIKeyLIRRYGUILSVRRA-UHFFFAOYSA-N
XLogP2.17
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.17
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 N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide (CID 17146135) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is LIRRYGUILSVRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c15-8(6-3-4-7(18-6)14(16)17)11-10-13-12-9(19-10)5-1-2-5/h3-5H,1-2H2,(H,11,13,15).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 280.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 17146135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).