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

C16H17ClFN5OS — CID 120960912

IUPAC5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2csc(-c3ccccc3F)n2)n1.Cl
InChIInChI=1S/C16H16FN5OS.ClH/c1-22-7-6-18-8-13(22)14-20-15(23-21-14)12-9-24-16(19-12)10-4-2-3-5-11(10)17;/h2-5,9,13,18H,6-8H2,1H3;1H
InChIKeyJZVARGGLHBCJGR-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.00
Rot. Bonds3

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

5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120960912) has the molecular formula C16H17ClFN5OS and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120960912
Molecular FormulaC16H17ClFN5OS
Molecular Weight381.86 g/mol
Exact Mass381.08
IUPAC Name5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2csc(-c3ccccc3F)n2)n1.Cl
InChIInChI=1S/C16H16FN5OS.ClH/c1-22-7-6-18-8-13(22)14-20-15(23-21-14)12-9-24-16(19-12)10-4-2-3-5-11(10)17;/h2-5,9,13,18H,6-8H2,1H3;1H
InChIKeyJZVARGGLHBCJGR-UHFFFAOYSA-N
XLogP3.00
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120960912) is 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is CN1CCNCC1c1noc(-c2csc(-c3ccccc3F)n2)n1.Cl.
What is the InChIKey of 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is JZVARGGLHBCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS.ClH/c1-22-7-6-18-8-13(22)14-20-15(23-21-14)12-9-24-16(19-12)10-4-2-3-5-11(10)17;/h2-5,9,13,18H,6-8H2,1H3;1H.
What are the key properties of 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120960912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).