6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride

C16H21Cl2N3S — CID 131730289

IUPAC6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
SMILESCl.Clc1ccc2nc(N3CCN(C4CCCC4)CC3)sc2c1
InChIInChI=1S/C16H20ClN3S.ClH/c17-12-5-6-14-15(11-12)21-16(18-14)20-9-7-19(8-10-20)13-3-1-2-4-13;/h5-6,11,13H,1-4,7-10H2;1H
InChIKeyBMHHJFCFAJKMSS-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.44
Rot. Bonds2

About 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride

6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride (PubChem CID 131730289) has the molecular formula C16H21Cl2N3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
PubChem CID131730289
Molecular FormulaC16H21Cl2N3S
Molecular Weight358.34 g/mol
Exact Mass357.08
IUPAC Name6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
SMILESCl.Clc1ccc2nc(N3CCN(C4CCCC4)CC3)sc2c1
InChIInChI=1S/C16H20ClN3S.ClH/c17-12-5-6-14-15(11-12)21-16(18-14)20-9-7-19(8-10-20)13-3-1-2-4-13;/h5-6,11,13H,1-4,7-10H2;1H
InChIKeyBMHHJFCFAJKMSS-UHFFFAOYSA-N
XLogP4.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 43982264
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carbaldehyde
CID 59588794
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
CID 166603229
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 68654949
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
6-chloro-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083465

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride?
The IUPAC name of 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride (CID 131730289) is 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride is Cl.Clc1ccc2nc(N3CCN(C4CCCC4)CC3)sc2c1.
What is the InChIKey of 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride?
The InChIKey is BMHHJFCFAJKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S.ClH/c17-12-5-6-14-15(11-12)21-16(18-14)20-9-7-19(8-10-20)13-3-1-2-4-13;/h5-6,11,13H,1-4,7-10H2;1H.
What are the key properties of 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride?
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride has a molecular weight of 358.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 131730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).