2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone

C14H19N5O2S — CID 119914972

IUPAC2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H19N5O2S/c1-18(9-13(20)19-5-3-15-4-6-19)8-12-16-14(17-21-12)11-2-7-22-10-11/h2,7,10,15H,3-6,8-9H2,1H3
InChIKeyBEYIJEMLPYXBPT-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.66
Rot. Bonds5

About 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone

2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone (PubChem CID 119914972) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
PubChem CID119914972
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C14H19N5O2S/c1-18(9-13(20)19-5-3-15-4-6-19)8-12-16-14(17-21-12)11-2-7-22-10-11/h2,7,10,15H,3-6,8-9H2,1H3
InChIKeyBEYIJEMLPYXBPT-UHFFFAOYSA-N
XLogP0.66
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915259
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
4-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butanoic acid
CID 55006126
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915107
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 134033852
2-[2-(dimethylamino)ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 107425703
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120806649
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967203
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120816806

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone (CID 119914972) is 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone?
The InChIKey is BEYIJEMLPYXBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18(9-13(20)19-5-3-15-4-6-19)8-12-16-14(17-21-12)11-2-7-22-10-11/h2,7,10,15H,3-6,8-9H2,1H3.
What are the key properties of 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone?
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone has a molecular weight of 321.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 119914972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).