ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate

C12H18N4O3S — CID 71807175

IUPACethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nc(C)ns2)CC1
InChIInChI=1S/C12H18N4O3S/c1-3-19-12(18)16-6-4-9(5-7-16)14-10(17)11-13-8(2)15-20-11/h9H,3-7H2,1-2H3,(H,14,17)
InChIKeyRTFJYWATWHLVHB-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.20
Rot. Bonds3

About ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 71807175) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate
PubChem CID71807175
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Nameethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2nc(C)ns2)CC1
InChIInChI=1S/C12H18N4O3S/c1-3-19-12(18)16-6-4-9(5-7-16)14-10(17)11-13-8(2)15-20-11/h9H,3-7H2,1-2H3,(H,14,17)
InChIKeyRTFJYWATWHLVHB-UHFFFAOYSA-N
XLogP1.20
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate (CID 71807175) is ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2nc(C)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is RTFJYWATWHLVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-19-12(18)16-6-4-9(5-7-16)14-10(17)11-13-8(2)15-20-11/h9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-methyl-1,2,4-thiadiazole-5-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 298.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 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)amino]piperidine-1-carboxylate is sourced from PubChem (CID 71807175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).