3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine

C11H16N4S — CID 167530438

IUPAC3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine
SMILESNC1Sc2ccccc2N1N1CCNCC1
InChIInChI=1S/C11H16N4S/c12-11-15(14-7-5-13-6-8-14)9-3-1-2-4-10(9)16-11/h1-4,11,13H,5-8,12H2
InChIKeyMLADQPMKMMUGOH-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.66
Rot. Bonds1

About 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine

3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine (PubChem CID 167530438) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine
PubChem CID167530438
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine
SMILESNC1Sc2ccccc2N1N1CCNCC1
InChIInChI=1S/C11H16N4S/c12-11-15(14-7-5-13-6-8-14)9-3-1-2-4-10(9)16-11/h1-4,11,13H,5-8,12H2
InChIKeyMLADQPMKMMUGOH-UHFFFAOYSA-N
XLogP0.66
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine?
The IUPAC name of 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine (CID 167530438) is 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine.
What is the SMILES notation for 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine?
The canonical SMILES for 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine is NC1Sc2ccccc2N1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine?
The InChIKey is MLADQPMKMMUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c12-11-15(14-7-5-13-6-8-14)9-3-1-2-4-10(9)16-11/h1-4,11,13H,5-8,12H2.
What are the key properties of 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine?
3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-2H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 167530438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).