5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C15H18N4OS — CID 120958136

IUPAC5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2Cc3ccccc3S2)n1
InChIInChI=1S/C15H18N4OS/c1-19-7-6-16-9-11(19)14-17-15(20-18-14)13-8-10-4-2-3-5-12(10)21-13/h2-5,11,13,16H,6-9H2,1H3
InChIKeySARWOIBWJNQOAP-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.04
Rot. Bonds2

About 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958136) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958136
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(C2Cc3ccccc3S2)n1
InChIInChI=1S/C15H18N4OS/c1-19-7-6-16-9-11(19)14-17-15(20-18-14)13-8-10-4-2-3-5-12(10)21-13/h2-5,11,13,16H,6-9H2,1H3
InChIKeySARWOIBWJNQOAP-UHFFFAOYSA-N
XLogP2.04
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 120958493
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958632
2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79206528
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
5-[(E)-2-(2-methylphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956691
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956253
5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958423
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958136) is 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(C2Cc3ccccc3S2)n1.
What is the InChIKey of 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SARWOIBWJNQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19-7-6-16-9-11(19)14-17-15(20-18-14)13-8-10-4-2-3-5-12(10)21-13/h2-5,11,13,16H,6-9H2,1H3.
What are the key properties of 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 302.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzothiophen-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).