ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate

C13H22N4O2S — CID 124505890

IUPACethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-11-14-13(20-15-11)17-8-6-16(7-9-17)10(3)12(18)19-5-2/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySFLQYOFQBXAHOE-SNVBAGLBSA-N
MW298.41 g/mol
LogP1.17
Rot. Bonds5

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

ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate (PubChem CID 124505890) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
PubChem CID124505890
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Nameethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C13H22N4O2S/c1-4-11-14-13(20-15-11)17-8-6-16(7-9-17)10(3)12(18)19-5-2/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeySFLQYOFQBXAHOE-SNVBAGLBSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 133328642
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one;dihydrochloride
CID 120565953
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 120565954
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
methyl 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetate
CID 133328682
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120597216
3-ethyl-5-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141837
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile
CID 65272549
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
3-ethyl-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328564
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 136512975
3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328707

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate (CID 124505890) is ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate is CCOC(=O)[C@@H](C)N1CCN(c2nc(CC)ns2)CC1.
What is the InChIKey of ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate?
The InChIKey is SFLQYOFQBXAHOE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-11-14-13(20-15-11)17-8-6-16(7-9-17)10(3)12(18)19-5-2/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate?
ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate has a molecular weight of 298.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 124505890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).