N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine

C14H20N4S — CID 66353414

IUPACN-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine
SMILESCN(CCN1CCNCC1)c1snc2ccccc12
InChIInChI=1S/C14H20N4S/c1-17(10-11-18-8-6-15-7-9-18)14-12-4-2-3-5-13(12)16-19-14/h2-5,15H,6-11H2,1H3
InChIKeyKFNYEAALWMGJKU-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine

N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine (PubChem CID 66353414) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine
PubChem CID66353414
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine
SMILESCN(CCN1CCNCC1)c1snc2ccccc12
InChIInChI=1S/C14H20N4S/c1-17(10-11-18-8-6-15-7-9-18)14-12-4-2-3-5-13(12)16-19-14/h2-5,15H,6-11H2,1H3
InChIKeyKFNYEAALWMGJKU-UHFFFAOYSA-N
XLogP1.64
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)quinolin-2-amine
CID 63266429
N,4-dimethyl-N-(2-piperazin-1-ylethyl)phthalazin-1-amine
CID 63266342
N-(2-chloropropyl)-N-methyl-2,1-benzothiazol-3-amine
CID 66353647
2-[2,1-benzothiazol-3-yl(methyl)amino]acetic acid
CID 66355052
N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 63266299
5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
N-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552611
3-[[2,1-benzothiazol-3-yl(methyl)amino]methyl]cyclobutan-1-ol
CID 66355737
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749
N-methyl-2-methylsulfonyl-N-(2-piperazin-1-ylethyl)aniline
CID 63266177
N-methyl-N-(2-morpholin-4-ylethyl)-1,2-benzothiazol-3-amine
CID 54360291

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine (CID 66353414) is N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine is CN(CCN1CCNCC1)c1snc2ccccc12.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine?
The InChIKey is KFNYEAALWMGJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-17(10-11-18-8-6-15-7-9-18)14-12-4-2-3-5-13(12)16-19-14/h2-5,15H,6-11H2,1H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine?
N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine has a molecular weight of 276.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 66353414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).