5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C11H10N4O5S — CID 175053657

IUPAC5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H10N4O5S/c16-9(6-3-4-8(20-6)15(17)18)12-11-14-13-10(21-11)7-2-1-5-19-7/h3-4,7H,1-2,5H2,(H,12,14,16)
InChIKeySFKYUYJRCXPITK-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.14
Rot. Bonds4

About 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 175053657) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID175053657
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC Name5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H10N4O5S/c16-9(6-3-4-8(20-6)15(17)18)12-11-14-13-10(21-11)7-2-1-5-19-7/h3-4,7H,1-2,5H2,(H,12,14,16)
InChIKeySFKYUYJRCXPITK-UHFFFAOYSA-N
XLogP2.14
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 175053657) is 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(C2CCCO2)s1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is SFKYUYJRCXPITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c16-9(6-3-4-8(20-6)15(17)18)12-11-14-13-10(21-11)7-2-1-5-19-7/h3-4,7H,1-2,5H2,(H,12,14,16).
What are the key properties of 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 310.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 175053657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).