2-piperazin-1-yl-1,3-benzothiazole;hydrochloride

C11H14ClN3S — CID 45286058

IUPAC2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKeyBDUGDVVACNJZPA-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.13
Rot. Bonds1

About 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride

2-piperazin-1-yl-1,3-benzothiazole;hydrochloride (PubChem CID 45286058) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
PubChem CID45286058
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
SMILESCl.c1ccc2sc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKeyBDUGDVVACNJZPA-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
6-bromo-2-piperazin-1-yl-1,3-benzothiazole
CID 42281675
2-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 70274211
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 60916528
2-[(6R)-1-(1,3-benzothiazol-2-yl)-1,4-diazepan-6-yl]acetic acid
CID 95557731
[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
CID 70422837
2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole
CID 112740355
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1,3-benzothiazole
CID 102850626
6-butyl-2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 82020498
1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
CID 153084897
2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride
CID 71645864

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride (CID 45286058) is 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride is Cl.c1ccc2sc(N3CCNCC3)nc2c1.
What is the InChIKey of 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride?
The InChIKey is BDUGDVVACNJZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H.
What are the key properties of 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride?
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride has a molecular weight of 255.77 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 45286058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).