ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate

C11H16N4O3S — CID 71807121

IUPACethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nc(C)ns2)CC1
InChIInChI=1S/C11H16N4O3S/c1-3-18-11(17)15-6-4-14(5-7-15)10(16)9-12-8(2)13-19-9/h3-7H2,1-2H3
InChIKeyMSAWWAWZXBGXTO-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.76
Rot. Bonds2

About ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate

ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate (PubChem CID 71807121) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate
PubChem CID71807121
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Nameethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nc(C)ns2)CC1
InChIInChI=1S/C11H16N4O3S/c1-3-18-11(17)15-6-4-14(5-7-15)10(16)9-12-8(2)13-19-9/h3-7H2,1-2H3
InChIKeyMSAWWAWZXBGXTO-UHFFFAOYSA-N
XLogP0.76
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carboxamido)piperidine-1-carboxylate
CID 71807175
(3-Methyl-1,2,4-thiadiazol-5-yl)(morpholino)methanone
CID 71807117
2,6-Dimethyl-4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)morpholine
CID 71807118
(4-(2-Hydroxyethyl)piperazin-1-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807120
3-methyl-N-(2-morpholinoethyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807141
1-(4-(3-Methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-1-yl)ethanone
CID 71807166
N,N-diethyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 92070577
N,N-bis(2-methoxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 92070581
(3-Methyl-1,2,4-thiadiazol-5-yl)(4-methylpiperazin-1-yl)methanone
CID 92070603
(4-Ethylpiperazin-1-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 92070604
(3-Methyl-1,2,4-thiadiazol-5-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
CID 92070651
4-(3-Methyl-1,2,4-thiadiazole-5-carbonyl)piperazin-2-one
CID 92070652

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate (CID 71807121) is ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2nc(C)ns2)CC1.
What is the InChIKey of ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate?
The InChIKey is MSAWWAWZXBGXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-3-18-11(17)15-6-4-14(5-7-15)10(16)9-12-8(2)13-19-9/h3-7H2,1-2H3.
What are the key properties of ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate?
ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71807121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).