ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate

C14H19N5O3S — CID 110853943

IUPACethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn3nc(C)sc3n2)CC1
InChIInChI=1S/C14H19N5O3S/c1-3-22-14(21)18-6-4-10(5-7-18)15-12(20)11-8-19-13(16-11)23-9(2)17-19/h8,10H,3-7H2,1-2H3,(H,15,20)
InChIKeyWIPMIGHFULWLLW-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.45
Rot. Bonds3

About ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 110853943) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
PubChem CID110853943
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Nameethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn3nc(C)sc3n2)CC1
InChIInChI=1S/C14H19N5O3S/c1-3-22-14(21)18-6-4-10(5-7-18)15-12(20)11-8-19-13(16-11)23-9(2)17-19/h8,10H,3-7H2,1-2H3,(H,15,20)
InChIKeyWIPMIGHFULWLLW-UHFFFAOYSA-N
XLogP1.45
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate
CID 110853942
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
ethyl 4-[[6-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109095151
ethyl 4-[[4-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109295773
ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 167897068
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate (CID 110853943) is ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cn3nc(C)sc3n2)CC1.
What is the InChIKey of ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is WIPMIGHFULWLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-3-22-14(21)18-6-4-10(5-7-18)15-12(20)11-8-19-13(16-11)23-9(2)17-19/h8,10H,3-7H2,1-2H3,(H,15,20).
What are the key properties of ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 337.41 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110853943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).