2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine

C15H22N4S — CID 66355064

IUPAC2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C15H22N4S/c1-15(2,11-16)19-9-7-18(8-10-19)14-12-5-3-4-6-13(12)17-20-14/h3-6H,7-11,16H2,1-2H3
InChIKeyGERDCSJYSJBJMO-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.16
Rot. Bonds3

About 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine

2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 66355064) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID66355064
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2snc3ccccc23)CC1
InChIInChI=1S/C15H22N4S/c1-15(2,11-16)19-9-7-18(8-10-19)14-12-5-3-4-6-13(12)17-20-14/h3-6H,7-11,16H2,1-2H3
InChIKeyGERDCSJYSJBJMO-UHFFFAOYSA-N
XLogP2.16
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-yl)-2,1-benzothiazole
CID 51133929
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentan-1-amine
CID 66355063
3-[4-(2-chloroethyl)piperazin-1-yl]-2,1-benzothiazole
CID 66353229
N-[[1-(2,1-benzothiazol-3-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 66354267
3-(4-chloropiperidin-1-yl)-2,1-benzothiazole
CID 66356181
1-(2,1-benzothiazol-3-yl)-3-methylazetidin-3-amine
CID 66355340
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]pentanenitrile
CID 66356553
1-[1-(2,1-benzothiazol-3-yl)pyrrolidin-3-yl]ethanamine
CID 113360803
[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
CID 62814996
methyl 1-(2,1-benzothiazol-3-yl)piperidine-4-carboxylate
CID 63372924
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43135337
7-(2,1-benzothiazol-3-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131122940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine (CID 66355064) is 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(c2snc3ccccc23)CC1.
What is the InChIKey of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is GERDCSJYSJBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-15(2,11-16)19-9-7-18(8-10-19)14-12-5-3-4-6-13(12)17-20-14/h3-6H,7-11,16H2,1-2H3.
What are the key properties of 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 66355064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).