N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

HCID 15980696

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1
InChIKey: FDPHOHMUSVHJQF-UHFFFAOYSA-N
Molecular formula: C20H21N5O2S
Average molar mass: 395.5 g/mol

Names & identifiers

Preferred name: N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
IUPAC: N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

Names & synonyms

CHEMBL461942N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamideSCHEMBL3771081FDPHOHMUSVHJQF-UHFFFAOYSA-NBDBM50244772PD140030

Database identifiers

PubChem CID: 15980696
ChEMBL: CHEMBL461942

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 98.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 503

Related reactions

2 records

New reaction record

HRID 107237As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2262912As productuspto-grants-2010_12

Compound notes

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