6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C15H18N6S — CID 35417968

IUPAC6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(N3CCN(Cc4cccnc4)CC3)sc2n1
InChIInChI=1S/C15H18N6S/c1-12-10-21-14(17-12)22-15(18-21)20-7-5-19(6-8-20)11-13-3-2-4-16-9-13/h2-4,9-10H,5-8,11H2,1H3
InChIKeyLJTZGBPDGXQIKV-UHFFFAOYSA-N
MW314.42 g/mol
LogP1.82
Rot. Bonds3

About 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 35417968) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID35417968
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(N3CCN(Cc4cccnc4)CC3)sc2n1
InChIInChI=1S/C15H18N6S/c1-12-10-21-14(17-12)22-15(18-21)20-7-5-19(6-8-20)11-13-3-2-4-16-9-13/h2-4,9-10H,5-8,11H2,1H3
InChIKeyLJTZGBPDGXQIKV-UHFFFAOYSA-N
XLogP1.82
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 56821483
2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
CID 35417098
3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171334111
3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
CID 166225630
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 31046288
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 20906841
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283702
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 35417968) is 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1cn2nc(N3CCN(Cc4cccnc4)CC3)sc2n1.
What is the InChIKey of 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is LJTZGBPDGXQIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-12-10-21-14(17-12)22-15(18-21)20-7-5-19(6-8-20)11-13-3-2-4-16-9-13/h2-4,9-10H,5-8,11H2,1H3.
What are the key properties of 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 314.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 35417968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).