2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole

C10H14N4O2S2 — CID 53151795

IUPAC2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCCC3)c(C)nc2s1
InChIInChI=1S/C10H14N4O2S2/c1-7-9(14-10(11-7)17-8(2)12-14)18(15,16)13-5-3-4-6-13/h3-6H2,1-2H3
InChIKeyUSNIRDLMBPMRML-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.19
Rot. Bonds2

About 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole

2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 53151795) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID53151795
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2c(S(=O)(=O)N3CCCC3)c(C)nc2s1
InChIInChI=1S/C10H14N4O2S2/c1-7-9(14-10(11-7)17-8(2)12-14)18(15,16)13-5-3-4-6-13/h3-6H2,1-2H3
InChIKeyUSNIRDLMBPMRML-UHFFFAOYSA-N
XLogP1.19
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole (CID 53151795) is 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2c(S(=O)(=O)N3CCCC3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is USNIRDLMBPMRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-7-9(14-10(11-7)17-8(2)12-14)18(15,16)13-5-3-4-6-13/h3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole?
2,6-dimethyl-5-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 286.38 g/mol, XLogP of 1.19, 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-pyrrolidin-1-ylsulfonylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 53151795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).