4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride

C12H16ClN5S — CID 120767683

IUPAC4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2csnn2)c1
InChIInChI=1S/C12H15N5S.ClH/c1-2-10(6-13-3-1)12-7-14-4-5-17(12)8-11-9-18-16-15-11;/h1-3,6,9,12,14H,4-5,7-8H2;1H
InChIKeyRHNNVZLPVVOAJZ-UHFFFAOYSA-N
MW297.81 g/mol
LogP1.50
Rot. Bonds3

About 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride

4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride (PubChem CID 120767683) has the molecular formula C12H16ClN5S and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride.

Molecular Properties

Compound Name4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
PubChem CID120767683
Molecular FormulaC12H16ClN5S
Molecular Weight297.81 g/mol
Exact Mass297.08
IUPAC Name4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
SMILESCl.c1cncc(C2CNCCN2Cc2csnn2)c1
InChIInChI=1S/C12H15N5S.ClH/c1-2-10(6-13-3-1)12-7-14-4-5-17(12)8-11-9-18-16-15-11;/h1-3,6,9,12,14H,4-5,7-8H2;1H
InChIKeyRHNNVZLPVVOAJZ-UHFFFAOYSA-N
XLogP1.50
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine;dihydrochloride
CID 120755583
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride?
The IUPAC name of 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride (CID 120767683) is 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride.
What is the SMILES notation for 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride?
The canonical SMILES for 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride is Cl.c1cncc(C2CNCCN2Cc2csnn2)c1.
What is the InChIKey of 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride?
The InChIKey is RHNNVZLPVVOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S.ClH/c1-2-10(6-13-3-1)12-7-14-4-5-17(12)8-11-9-18-16-15-11;/h1-3,6,9,12,14H,4-5,7-8H2;1H.
What are the key properties of 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride?
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride is sourced from PubChem (CID 120767683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).