4-amino-N,N-dibenzyl-2-benzylsulfanyl-1,3-thiazole-5-carboxamide

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Basic information

CAS: 63238-10-8
Standard SMILES: Nc1nc(SCc2ccccc2)sc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIKey: FDNJYLMGLUQJMR-UHFFFAOYSA-N
Molecular formula: C25H23N3OS2
Average molar mass: 445.6 g/mol
Monoisotopic mass: 445.12825471

Names & identifiers

Preferred name: 4-amino-N,N-dibenzyl-2-benzylsulfanyl-1,3-thiazole-5-carboxamide
IUPAC: 4-amino-N,N-dibenzyl-2-benzylsulfanyl-1,3-thiazole-5-carboxamide

Names & synonyms

NSC29475363238-10-84-amino-N,N-dibenzyl-2-benzylsulfanyl-1,3-thiazole-5-carboxamideDTXSID00315464NSC-2947534-amino-N,N-dibenzyl-2-benzylsulfanyl-thiazole-5-carboxamide4-Amino-N,N-dibenzyl-2-(benzylsulfanyl)-1,3-thiazole-5-carboxamide4-Amino-N,N-dibenzyl-2-(benzylthio)-1,3-thiazole-5-carboxamide

Database identifiers

CAS: 63238-10-8
PubChem CID: 325660
DTXSID: DTXSID00315464

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 525

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Compound notes

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