1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile

C12H13N5OS — CID 79085444

IUPAC1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C12H13N5OS/c13-6-9-7-14-3-4-17(9)8-11-15-12(16-18-11)10-2-1-5-19-10/h1-2,5,9,14H,3-4,7-8H2
InChIKeyFFGWZFSKHQCEOT-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.10
Rot. Bonds3

About 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile

1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile (PubChem CID 79085444) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
PubChem CID79085444
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1nc(-c2cccs2)no1
InChIInChI=1S/C12H13N5OS/c13-6-9-7-14-3-4-17(9)8-11-15-12(16-18-11)10-2-1-5-19-10/h1-2,5,9,14H,3-4,7-8H2
InChIKeyFFGWZFSKHQCEOT-UHFFFAOYSA-N
XLogP1.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 82713468
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119916503
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2-carbonitrile
CID 79094644
5-(1,4-diazepan-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43162484
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085368
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
5-[(2,2-dimethylpiperazin-1-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65462979
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-2-carbonitrile
CID 79085040
1-(1,3-benzoxazol-2-ylmethyl)piperazine-2-carbonitrile
CID 79085147
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18088979

Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile (CID 79085444) is 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile is N#CC1CNCCN1Cc1nc(-c2cccs2)no1.
What is the InChIKey of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile?
The InChIKey is FFGWZFSKHQCEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-6-9-7-14-3-4-17(9)8-11-15-12(16-18-11)10-2-1-5-19-10/h1-2,5,9,14H,3-4,7-8H2.
What are the key properties of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile?
1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile has a molecular weight of 275.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).