5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C12H16N4OS — CID 104975556

IUPAC5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2nc(-c3ccsc3)no2)CCN1
InChIInChI=1S/C12H16N4OS/c1-9-6-16(4-3-13-9)7-11-14-12(15-17-11)10-2-5-18-8-10/h2,5,8-9,13H,3-4,6-7H2,1H3/t9-/m1/s1
InChIKeyAVRPNDQUGYNIFD-SECBINFHSA-N
MW264.35 g/mol
LogP1.59
Rot. Bonds3

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

5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 104975556) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID104975556
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESC[C@@H]1CN(Cc2nc(-c3ccsc3)no2)CCN1
InChIInChI=1S/C12H16N4OS/c1-9-6-16(4-3-13-9)7-11-14-12(15-17-11)10-2-5-18-8-10/h2,5,8-9,13H,3-4,6-7H2,1H3/t9-/m1/s1
InChIKeyAVRPNDQUGYNIFD-SECBINFHSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 113345871
3-(4-fluoro-3-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 136549348
1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 48633424
(6R)-2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586164
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
CID 120840166
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 104975556) is 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is C[C@@H]1CN(Cc2nc(-c3ccsc3)no2)CCN1.
What is the InChIKey of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is AVRPNDQUGYNIFD-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-9-6-16(4-3-13-9)7-11-14-12(15-17-11)10-2-5-18-8-10/h2,5,8-9,13H,3-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 264.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 104975556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).