ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate

C13H17N5O3S — CID 110853942

IUPACethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn3ncsc3n2)CC1
InChIInChI=1S/C13H17N5O3S/c1-2-21-13(20)17-5-3-9(4-6-17)15-11(19)10-7-18-12(16-10)22-8-14-18/h7-9H,2-6H2,1H3,(H,15,19)
InChIKeyXZMYVHRYSXDLFV-UHFFFAOYSA-N
MW323.38 g/mol
LogP1.14
Rot. Bonds3

About ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate

ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate (PubChem CID 110853942) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate
PubChem CID110853942
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Nameethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn3ncsc3n2)CC1
InChIInChI=1S/C13H17N5O3S/c1-2-21-13(20)17-5-3-9(4-6-17)15-11(19)10-7-18-12(16-10)22-8-14-18/h7-9H,2-6H2,1H3,(H,15,19)
InChIKeyXZMYVHRYSXDLFV-UHFFFAOYSA-N
XLogP1.14
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
CID 110853943
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-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-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
ethyl 4-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109361602
ethyl 4-[[6-(cyclohexylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109363822

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate (CID 110853942) is ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cn3ncsc3n2)CC1.
What is the InChIKey of ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate?
The InChIKey is XZMYVHRYSXDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-2-21-13(20)17-5-3-9(4-6-17)15-11(19)10-7-18-12(16-10)22-8-14-18/h7-9H,2-6H2,1H3,(H,15,19).
What are the key properties of ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate has a molecular weight of 323.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110853942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).