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

C13H18N4OS — CID 65462979

IUPAC5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC1(C)CNCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C13H18N4OS/c1-13(2)9-14-5-6-17(13)8-11-15-12(16-18-11)10-4-3-7-19-10/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeySYIFYSDYVDPDFF-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds3

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

5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 65462979) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID65462979
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCC1(C)CNCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C13H18N4OS/c1-13(2)9-14-5-6-17(13)8-11-15-12(16-18-11)10-4-3-7-19-10/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeySYIFYSDYVDPDFF-UHFFFAOYSA-N
XLogP1.98
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,5,8-triazaspiro[3.6]decan-9-one
CID 154788275
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085444
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
2,2-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 63774564
5-(3-ethylpyrrolidin-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55165560

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 65462979) is 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CC1(C)CNCCN1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is SYIFYSDYVDPDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-13(2)9-14-5-6-17(13)8-11-15-12(16-18-11)10-4-3-7-19-10/h3-4,7,14H,5-6,8-9H2,1-2H3.
What are the key properties of 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 278.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 65462979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).