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

C7H5F3N4O3S — CID 60507248

IUPAC2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)C1CC1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N4O3S/c8-7(9,10)5-12-13-6(18-5)11-4(15)2-1-3(2)14(16)17/h2-3H,1H2,(H,11,13,15)
InChIKeyZSWUJMITJYGJQQ-UHFFFAOYSA-N
MW282.20 g/mol
LogP1.16
Rot. Bonds3

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

2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 60507248) has the molecular formula C7H5F3N4O3S and a molecular weight of 282.20 g/mol. Its IUPAC name is 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID60507248
Molecular FormulaC7H5F3N4O3S
Molecular Weight282.20 g/mol
Exact Mass282.00
IUPAC Name2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)C1CC1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N4O3S/c8-7(9,10)5-12-13-6(18-5)11-4(15)2-1-3(2)14(16)17/h2-3H,1H2,(H,11,13,15)
InChIKeyZSWUJMITJYGJQQ-UHFFFAOYSA-N
XLogP1.16
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (CID 60507248) is 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)C1CC1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is ZSWUJMITJYGJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O3S/c8-7(9,10)5-12-13-6(18-5)11-4(15)2-1-3(2)14(16)17/h2-3H,1H2,(H,11,13,15).
What are the key properties of 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 282.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 60507248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).