ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate

C13H18N4O2S — CID 30756005

IUPACethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nn3cc(C)nc3s2)CC1
InChIInChI=1S/C13H18N4O2S/c1-3-19-11(18)10-4-6-16(7-5-10)13-15-17-8-9(2)14-12(17)20-13/h8,10H,3-7H2,1-2H3
InChIKeyURFUGQLSWCABAS-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.88
Rot. Bonds3

About ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate

ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate (PubChem CID 30756005) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
PubChem CID30756005
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Nameethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nn3cc(C)nc3s2)CC1
InChIInChI=1S/C13H18N4O2S/c1-3-19-11(18)10-4-6-16(7-5-10)13-15-17-8-9(2)14-12(17)20-13/h8,10H,3-7H2,1-2H3
InChIKeyURFUGQLSWCABAS-UHFFFAOYSA-N
XLogP1.88
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 48736168
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate
CID 103201110
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 133365960
ethyl 1-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 90611218
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
CID 35417098
ethyl 1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidine-4-carboxylate
CID 68775709

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate (CID 30756005) is ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nn3cc(C)nc3s2)CC1.
What is the InChIKey of ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is URFUGQLSWCABAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-19-11(18)10-4-6-16(7-5-10)13-15-17-8-9(2)14-12(17)20-13/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate?
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 294.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 30756005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).