ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate

C16H18N6O2S — CID 133462646

IUPACethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nn3cc(-c4cccnc4)nc3s2)CC1
InChIInChI=1S/C16H18N6O2S/c1-2-24-16(23)21-8-6-20(7-9-21)15-19-22-11-13(18-14(22)25-15)12-4-3-5-17-10-12/h3-5,10-11H,2,6-9H2,1H3
InChIKeyPUKMQTYTICLOKP-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.13
Rot. Bonds3

About ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate

ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate (PubChem CID 133462646) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
PubChem CID133462646
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Nameethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nn3cc(-c4cccnc4)nc3s2)CC1
InChIInChI=1S/C16H18N6O2S/c1-2-24-16(23)21-8-6-20(7-9-21)15-19-22-11-13(18-14(22)25-15)12-4-3-5-17-10-12/h3-5,10-11H,2,6-9H2,1H3
InChIKeyPUKMQTYTICLOKP-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
furan-2-yl-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methanone
CID 133462677
3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one
CID 133497389
ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 70671638
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 20906841
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
ethyl 4-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110648887
6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 35417968
2-[4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 25468496
2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
CID 133462654
tert-butyl 4-methyl-3-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidine-1-carboxylate
CID 133496088

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate (CID 133462646) is ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nn3cc(-c4cccnc4)nc3s2)CC1.
What is the InChIKey of ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is PUKMQTYTICLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-2-24-16(23)21-8-6-20(7-9-21)15-19-22-11-13(18-14(22)25-15)12-4-3-5-17-10-12/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate?
ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 358.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 133462646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).