2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone

C11H19N5OS — CID 65275661

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCCc1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)15(2)8-10(17)16-6-4-12-5-7-16/h12H,3-8H2,1-2H3
InChIKeyOMVFYLBEOGINJN-UHFFFAOYSA-N
MW269.37 g/mol
LogP-0.03
Rot. Bonds4

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone (PubChem CID 65275661) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
PubChem CID65275661
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCCc1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)15(2)8-10(17)16-6-4-12-5-7-16/h12H,3-8H2,1-2H3
InChIKeyOMVFYLBEOGINJN-UHFFFAOYSA-N
XLogP-0.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
3-methyl-N-(3-morpholinopropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807142
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
2-(diethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71989635
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone (CID 65275661) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone is CCc1nsc(N(C)CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is OMVFYLBEOGINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-3-9-13-11(18-14-9)15(2)8-10(17)16-6-4-12-5-7-16/h12H,3-8H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 269.37 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65275661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).