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

C7H12ClN3S — CID 23467106

IUPAC2-piperazin-1-yl-1,3-thiazole;hydrochloride
SMILESCl.c1csc(N2CCNCC2)n1
InChIInChI=1S/C7H11N3S.ClH/c1-4-10(5-2-8-1)7-9-3-6-11-7;/h3,6,8H,1-2,4-5H2;1H
InChIKeyBIHQYKGSYPXHRN-UHFFFAOYSA-N
MW205.71 g/mol
LogP0.97
Rot. Bonds1

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

2-piperazin-1-yl-1,3-thiazole;hydrochloride (PubChem CID 23467106) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-1,3-thiazole;hydrochloride
PubChem CID23467106
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name2-piperazin-1-yl-1,3-thiazole;hydrochloride
SMILESCl.c1csc(N2CCNCC2)n1
InChIInChI=1S/C7H11N3S.ClH/c1-4-10(5-2-8-1)7-9-3-6-11-7;/h3,6,8H,1-2,4-5H2;1H
InChIKeyBIHQYKGSYPXHRN-UHFFFAOYSA-N
XLogP0.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-1,3-thiazole;hydrochloride (CID 23467106) is 2-piperazin-1-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-1,3-thiazole;hydrochloride is Cl.c1csc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-1,3-thiazole;hydrochloride?
The InChIKey is BIHQYKGSYPXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.ClH/c1-4-10(5-2-8-1)7-9-3-6-11-7;/h3,6,8H,1-2,4-5H2;1H.
What are the key properties of 2-piperazin-1-yl-1,3-thiazole;hydrochloride?
2-piperazin-1-yl-1,3-thiazole;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 0.97, 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-thiazole;hydrochloride is sourced from PubChem (CID 23467106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).