2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride

C16H17ClN4S — CID 173041144

IUPAC2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride
SMILESCl.c1ccc2nc(-c3csc(N4CCNCC4)n3)ccc2c1
InChIInChI=1S/C16H16N4S.ClH/c1-2-4-13-12(3-1)5-6-14(18-13)15-11-21-16(19-15)20-9-7-17-8-10-20;/h1-6,11,17H,7-10H2;1H
InChIKeyPZTJBDLFWXFIHS-UHFFFAOYSA-N
MW332.86 g/mol
LogP3.19
Rot. Bonds2

About 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride

2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride (PubChem CID 173041144) has the molecular formula C16H17ClN4S and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride
PubChem CID173041144
Molecular FormulaC16H17ClN4S
Molecular Weight332.86 g/mol
Exact Mass332.09
IUPAC Name2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride
SMILESCl.c1ccc2nc(-c3csc(N4CCNCC4)n3)ccc2c1
InChIInChI=1S/C16H16N4S.ClH/c1-2-4-13-12(3-1)5-6-14(18-13)15-11-21-16(19-15)20-9-7-17-8-10-20;/h1-6,11,17H,7-10H2;1H
InChIKeyPZTJBDLFWXFIHS-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride (CID 173041144) is 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride is Cl.c1ccc2nc(-c3csc(N4CCNCC4)n3)ccc2c1.
What is the InChIKey of 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride?
The InChIKey is PZTJBDLFWXFIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S.ClH/c1-2-4-13-12(3-1)5-6-14(18-13)15-11-21-16(19-15)20-9-7-17-8-10-20;/h1-6,11,17H,7-10H2;1H.
What are the key properties of 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride?
2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride has a molecular weight of 332.86 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-quinolin-2-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 173041144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).