4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine

C11H15N3O3S2 — CID 138014131

IUPAC4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1S(=O)(=O)c1cnc2sccn12
InChIInChI=1S/C11H15N3O3S2/c1-11(2)8-17-5-3-14(11)19(15,16)9-7-12-10-13(9)4-6-18-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyBOMKEVAWPREBKR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.20
Rot. Bonds2

About 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine

4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine (PubChem CID 138014131) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine
PubChem CID138014131
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1S(=O)(=O)c1cnc2sccn12
InChIInChI=1S/C11H15N3O3S2/c1-11(2)8-17-5-3-14(11)19(15,16)9-7-12-10-13(9)4-6-18-10/h4,6-7H,3,5,8H2,1-2H3
InChIKeyBOMKEVAWPREBKR-UHFFFAOYSA-N
XLogP1.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)azetidin-3-yl)oxy)thiazole
CID 73168906
6-Chloro-5-{[2-(trifluoromethyl)morpholin-4-yl]sulfonyl}imidazo[2,1-b][1,3]thiazole
CID 56865454
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63832888
(2S)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-(trifluoromethyl)morpholine
CID 95486479
(2R)-4-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-(trifluoromethyl)morpholine
CID 95486480
6-amino-N-[2-(2,2-difluoroethoxy)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 105925183
N-[2-(2,2-difluoroethoxy)ethyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 105925198
6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 51118284
7-(N-methoxy-N-methylsulfamoyl)imidazo[5,1-b]thiazole
CID 23449100
N,N-dimethylimidazo[5,1-b][1,3]thiazole-7-sulfonamide
CID 23449113
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide
CID 23449146
N-(2-hydroxyethyl)-N-methylimidazo[5,1-b][1,3]thiazole-7-sulfonamide
CID 23449148

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine?
The IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine (CID 138014131) is 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine?
The canonical SMILES for 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine is CC1(C)COCCN1S(=O)(=O)c1cnc2sccn12.
What is the InChIKey of 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine?
The InChIKey is BOMKEVAWPREBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-11(2)8-17-5-3-14(11)19(15,16)9-7-12-10-13(9)4-6-18-10/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine?
4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine has a molecular weight of 301.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-b][1,3]thiazol-5-ylsulfonyl-3,3-dimethylmorpholine is sourced from PubChem (CID 138014131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).