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

C15H16ClN5OS2 — CID 120957886

IUPAC5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)s2)sc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C15H16ClN5OS2/c1-8-12(24-15(18-8)10-3-4-11(16)23-10)14-19-13(20-22-14)9-7-17-5-6-21(9)2/h3-4,9,17H,5-7H2,1-2H3
InChIKeyKMKNHVGVASHAOS-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.46
Rot. Bonds3

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

5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120957886) has the molecular formula C15H16ClN5OS2 and a molecular weight of 381.91 g/mol. Its IUPAC name is 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120957886
Molecular FormulaC15H16ClN5OS2
Molecular Weight381.91 g/mol
Exact Mass381.05
IUPAC Name5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(Cl)s2)sc1-c1nc(C2CNCCN2C)no1
InChIInChI=1S/C15H16ClN5OS2/c1-8-12(24-15(18-8)10-3-4-11(16)23-10)14-19-13(20-22-14)9-7-17-5-6-21(9)2/h3-4,9,17H,5-7H2,1-2H3
InChIKeyKMKNHVGVASHAOS-UHFFFAOYSA-N
XLogP3.46
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120957886) is 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1nc(-c2ccc(Cl)s2)sc1-c1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is KMKNHVGVASHAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5OS2/c1-8-12(24-15(18-8)10-3-4-11(16)23-10)14-19-13(20-22-14)9-7-17-5-6-21(9)2/h3-4,9,17H,5-7H2,1-2H3.
What are the key properties of 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 381.91 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120957886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).