5-ethyl-4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide

HCID 9508973

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 879171-08-1
Standard SMILES: CCc1sc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1C
InChIKey: QRGOZYCYXAMNOF-UHFFFAOYSA-N
Molecular formula: C15H15N5OS
Average molar mass: 313.4 g/mol
Monoisotopic mass: 313.09973129

Names & identifiers

Preferred name: 5-ethyl-4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide
IUPAC: 5-ethyl-4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxamide

Names & synonyms

MLS002158388CHEMBL1366394DTXSID901322042HMS3049M135-ethyl-4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiophene-2-carboxamideAKOS034037810879171-08-1SMR001240860Z280520085-Ethyl-4-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]thiophene-2-carboxamide

Database identifiers

CAS: 879171-08-1
PubChem CID: 9508973
DTXSID: DTXSID901322042
ChEMBL: CHEMBL1366394

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 396

Experimental & physicochemical properties

Solubility3.5 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…