4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine

C10H14N4O3S2 — CID 53151875

IUPAC4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine
SMILESCc1nn2c(S(=O)(=O)N3CCOCC3)c(C)nc2s1
InChIInChI=1S/C10H14N4O3S2/c1-7-9(14-10(11-7)18-8(2)12-14)19(15,16)13-3-5-17-6-4-13/h3-6H2,1-2H3
InChIKeySAZPMSHREGXQEK-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.43
Rot. Bonds2

About 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine

4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine (PubChem CID 53151875) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine
PubChem CID53151875
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine
SMILESCc1nn2c(S(=O)(=O)N3CCOCC3)c(C)nc2s1
InChIInChI=1S/C10H14N4O3S2/c1-7-9(14-10(11-7)18-8(2)12-14)19(15,16)13-3-5-17-6-4-13/h3-6H2,1-2H3
InChIKeySAZPMSHREGXQEK-UHFFFAOYSA-N
XLogP0.43
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine?
The IUPAC name of 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine (CID 53151875) is 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine?
The canonical SMILES for 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine is Cc1nn2c(S(=O)(=O)N3CCOCC3)c(C)nc2s1.
What is the InChIKey of 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine?
The InChIKey is SAZPMSHREGXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-7-9(14-10(11-7)18-8(2)12-14)19(15,16)13-3-5-17-6-4-13/h3-6H2,1-2H3.
What are the key properties of 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine?
4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine has a molecular weight of 302.38 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylmorpholine is sourced from PubChem (CID 53151875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).