2-Tert-butyl-5-(4-methyl-piperidin-1-yl)-6-[(piperazin-1-yl)thiocarbonylamino]benzothiazole

HCID 54374593
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Basic information

Standard SMILES
CC1CCN(c2cc3nc(C(C)(C)C)sc3cc2NC(=S)N2CCNCC2)CC1
InChIKey
UVPFZINSPUYDOB-UHFFFAOYSA-N
Molecular formula
C22H33N5S2
Average molar mass
431.7 g/mol

Names & identifiers

Preferred name
2-Tert-butyl-5-(4-methyl-piperidin-1-yl)-6-[(piperazin-1-yl)thiocarbonylamino]benzothiazole
IUPAC
N-[2-tert-butyl-5-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]piperazine-1-carbothioamide

Names & synonyms

SCHEMBL9455361UVPFZINSPUYDOB-UHFFFAOYSA-N2-tert-butyl-5-(4-methyl-piperidin-1-yl)-6-[(piperazin-1-yl)thiocarbonylamino]benzothiazole

Database identifiers

PubChem CID
54374593

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
29

Related reactions

2 records
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Compound notes

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