6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride

C15H18ClN5S — CID 3074993

IUPAC6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride
SMILESCl.c1ccc(N2CCN(Cc3csc4ncnn34)CC2)cc1
InChIInChI=1S/C15H17N5S.ClH/c1-2-4-13(5-3-1)19-8-6-18(7-9-19)10-14-11-21-15-16-12-17-20(14)15;/h1-5,11-12H,6-10H2;1H
InChIKeyWWIWKRQFNVKBFI-UHFFFAOYSA-N
MW335.86 g/mol
LogP2.53
Rot. Bonds3

About 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride

6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride (PubChem CID 3074993) has the molecular formula C15H18ClN5S and a molecular weight of 335.86 g/mol. Its IUPAC name is 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride.

Molecular Properties

Compound Name6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride
PubChem CID3074993
Molecular FormulaC15H18ClN5S
Molecular Weight335.86 g/mol
Exact Mass335.10
IUPAC Name6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride
SMILESCl.c1ccc(N2CCN(Cc3csc4ncnn34)CC2)cc1
InChIInChI=1S/C15H17N5S.ClH/c1-2-4-13(5-3-1)19-8-6-18(7-9-19)10-14-11-21-15-16-12-17-20(14)15;/h1-5,11-12H,6-10H2;1H
InChIKeyWWIWKRQFNVKBFI-UHFFFAOYSA-N
XLogP2.53
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride?
The IUPAC name of 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride (CID 3074993) is 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride.
What is the SMILES notation for 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride?
The canonical SMILES for 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride is Cl.c1ccc(N2CCN(Cc3csc4ncnn34)CC2)cc1.
What is the InChIKey of 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride?
The InChIKey is WWIWKRQFNVKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S.ClH/c1-2-4-13(5-3-1)19-8-6-18(7-9-19)10-14-11-21-15-16-12-17-20(14)15;/h1-5,11-12H,6-10H2;1H.
What are the key properties of 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride?
6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazole;hydrochloride is sourced from PubChem (CID 3074993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).