2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride

C7H15Cl2N3S — CID 68680838

IUPAC2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride
SMILESC1CSC(N2CCNCC2)=N1.Cl.Cl
InChIInChI=1S/C7H13N3S.2ClH/c1-4-10(5-2-8-1)7-9-3-6-11-7;;/h8H,1-6H2;2*1H
InChIKeyANAMMEYRUZSGKE-UHFFFAOYSA-N
MW244.19 g/mol
LogP0.84
Rot. Bonds

About 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride

2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride (PubChem CID 68680838) has the molecular formula C7H15Cl2N3S and a molecular weight of 244.19 g/mol. Its IUPAC name is 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride
PubChem CID68680838
Molecular FormulaC7H15Cl2N3S
Molecular Weight244.19 g/mol
Exact Mass243.04
IUPAC Name2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride
SMILESC1CSC(N2CCNCC2)=N1.Cl.Cl
InChIInChI=1S/C7H13N3S.2ClH/c1-4-10(5-2-8-1)7-9-3-6-11-7;;/h8H,1-6H2;2*1H
InChIKeyANAMMEYRUZSGKE-UHFFFAOYSA-N
XLogP0.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 50.84
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-4,5-dihydro-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride (CID 68680838) is 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride is C1CSC(N2CCNCC2)=N1.Cl.Cl.
What is the InChIKey of 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride?
The InChIKey is ANAMMEYRUZSGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S.2ClH/c1-4-10(5-2-8-1)7-9-3-6-11-7;;/h8H,1-6H2;2*1H.
What are the key properties of 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride?
2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride has a molecular weight of 244.19 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4,5-dihydro-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 68680838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).