N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C8H6N4O4S — CID 17405

IUPACN-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C8H6N4O4S/c1-4(13)9-8-11-10-7(17-8)5-2-3-6(16-5)12(14)15/h2-3H,1H3,(H,9,11,13)
InChIKeyKGVQFUIYBAPYSK-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.66
Rot. Bonds3

About N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 17405) has the molecular formula C8H6N4O4S and a molecular weight of 254.23 g/mol. Its IUPAC name is N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID17405
Molecular FormulaC8H6N4O4S
Molecular Weight254.23 g/mol
Exact Mass254.01
IUPAC NameN-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1
InChIInChI=1S/C8H6N4O4S/c1-4(13)9-8-11-10-7(17-8)5-2-3-6(16-5)12(14)15/h2-3H,1H3,(H,9,11,13)
InChIKeyKGVQFUIYBAPYSK-UHFFFAOYSA-N
XLogP1.66
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.66
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-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 17405) is N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1.
What is the InChIKey of N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KGVQFUIYBAPYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4S/c1-4(13)9-8-11-10-7(17-8)5-2-3-6(16-5)12(14)15/h2-3H,1H3,(H,9,11,13).
What are the key properties of N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 254.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 17405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).