6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole

C16H23N3S — CID 107806691

IUPAC6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole
SMILESCC1CNC(C(C)(C)C)CN1c1ccc2ncsc2c1
InChIInChI=1S/C16H23N3S/c1-11-8-17-15(16(2,3)4)9-19(11)12-5-6-13-14(7-12)20-10-18-13/h5-7,10-11,15,17H,8-9H2,1-4H3
InChIKeyAPAKGFAENSGYDB-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.51
Rot. Bonds1

About 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole

6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 107806691) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID107806691
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole
SMILESCC1CNC(C(C)(C)C)CN1c1ccc2ncsc2c1
InChIInChI=1S/C16H23N3S/c1-11-8-17-15(16(2,3)4)9-19(11)12-5-6-13-14(7-12)20-10-18-13/h5-7,10-11,15,17H,8-9H2,1-4H3
InChIKeyAPAKGFAENSGYDB-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-benzothiazole
CID 107806626
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
CID 59636211
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
CID 64934142
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64939349
6-[3-(2-methylpropyl)piperazin-1-yl]-1,3-benzothiazole
CID 107806622
1-(1,3-benzothiazol-6-yl)-3,3,6-trimethylpiperazine-2,5-dione
CID 107806707
methyl 1-(1,3-benzothiazol-6-yl)azetidine-2-carboxylate
CID 107802150
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
(2S,5R)-1-(4-bromophenyl)-2,5-dimethylpiperazine
CID 95472777
1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
[1-(1,3-benzothiazol-6-yl)pyrrolidin-3-yl]methanol
CID 107806610
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802

Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole (CID 107806691) is 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole is CC1CNC(C(C)(C)C)CN1c1ccc2ncsc2c1.
What is the InChIKey of 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is APAKGFAENSGYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-11-8-17-15(16(2,3)4)9-19(11)12-5-6-13-14(7-12)20-10-18-13/h5-7,10-11,15,17H,8-9H2,1-4H3.
What are the key properties of 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole?
6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 289.45 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-2-methylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 107806691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).