2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole

C12H18N4O2S2 — CID 53151791

IUPAC2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCC(C)CC3)c(C)nc2s1
InChIInChI=1S/C12H18N4O2S2/c1-8-4-6-15(7-5-8)20(17,18)11-9(2)13-12-16(11)14-10(3)19-12/h8H,4-7H2,1-3H3
InChIKeyAWZOATVRQUFZPB-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.83
Rot. Bonds2

About 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole

2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 53151791) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID53151791
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCC(C)CC3)c(C)nc2s1
InChIInChI=1S/C12H18N4O2S2/c1-8-4-6-15(7-5-8)20(17,18)11-9(2)13-12-16(11)14-10(3)19-12/h8H,4-7H2,1-3H3
InChIKeyAWZOATVRQUFZPB-UHFFFAOYSA-N
XLogP1.83
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151866
5-(Azepan-1-ylsulfonyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 53151926
5-(Azepan-1-ylsulfonyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 53152175
N-tert-butyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151765
N-(3-morpholin-4-ylpropyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53151772
5-(Azepan-1-ylsulfonyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
CID 53151786
2,6-Dimethyl-5-(1-pyrrolidinylsulfonyl)imidazo[2,1-B][1,3,4]thiadiazole
CID 53151795
1-Cyclohexyl-4-({2,6-dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}sulfonyl)piperazine
CID 53151797
8-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 53151819
N,N-diethyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151873
1-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}sulfonyl)piperidine
CID 53151874
4-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}sulfonyl)morpholine
CID 53151875

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole (CID 53151791) is 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2c(S(=O)(=O)N3CCC(C)CC3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is AWZOATVRQUFZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-8-4-6-15(7-5-8)20(17,18)11-9(2)13-12-16(11)14-10(3)19-12/h8H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole?
2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 314.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 53151791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).