5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C13H20ClN5OS — CID 120958372

IUPAC5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1nc(Cc2nc(C3CNCCN3C)no2)cs1.Cl
InChIInChI=1S/C13H19N5OS.ClH/c1-3-12-15-9(8-20-12)6-11-16-13(17-19-11)10-7-14-4-5-18(10)2;/h8,10,14H,3-7H2,1-2H3;1H
InChIKeyJTZJWEPXPCGAMH-UHFFFAOYSA-N
MW329.86 g/mol
LogP1.68
Rot. Bonds4

About 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120958372) has the molecular formula C13H20ClN5OS and a molecular weight of 329.86 g/mol. Its IUPAC name is 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120958372
Molecular FormulaC13H20ClN5OS
Molecular Weight329.86 g/mol
Exact Mass329.11
IUPAC Name5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1nc(Cc2nc(C3CNCCN3C)no2)cs1.Cl
InChIInChI=1S/C13H19N5OS.ClH/c1-3-12-15-9(8-20-12)6-11-16-13(17-19-11)10-7-14-4-5-18(10)2;/h8,10,14H,3-7H2,1-2H3;1H
InChIKeyJTZJWEPXPCGAMH-UHFFFAOYSA-N
XLogP1.68
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.86
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960836
5-[(4-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956073
3-(1-methylpiperazin-2-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole;hydrochloride
CID 120961594
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600
3-(1-methylpiperazin-2-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120958159
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
5-[(2-chloro-6-fluorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957597
5-[2-(4-ethylphenyl)propyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956939
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692
5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958824
5-[(5-bromo-2-methoxyphenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958081

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120958372) is 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is CCc1nc(Cc2nc(C3CNCCN3C)no2)cs1.Cl.
What is the InChIKey of 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is JTZJWEPXPCGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS.ClH/c1-3-12-15-9(8-20-12)6-11-16-13(17-19-11)10-7-14-4-5-18(10)2;/h8,10,14H,3-7H2,1-2H3;1H.
What are the key properties of 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 329.86 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120958372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).