5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
Basic information
- CAS
15091-04-0- Standard SMILES
CC1(C)CC(=O)c2sc(N3CCOCC3)nc2C1- InChIKey
DZXMARZBAUMWLK-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2S
- Average molar mass
- 266.36 g/mol
- Monoisotopic mass
- 266.10889899
Names & identifiers
- Preferred name
- 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
- IUPAC
- 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one
- English name
- 5,5-DiMethyl-2-(Morpholin-4-yl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one
- Molecular formula
- C13H18N2O2S
- Molecular weight
- 266.36
Names & synonyms
5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one5,5-dimethyl-2-(morpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-oneRefChem:52774315091-04-05,5-dimethyl-2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one5,6-Dihydro-5,5-dimethyl-2-(4-morpholinyl)-7(4H)-benzothiazoloneQDN0FW2IO92-(morpholin-4-yl)-5,5-dimethyl-4,5,6,7-tetrahydrobenzothiazol-7-oneCHEMBL4690995,5-dimethyl-2-(morpholin-4-yl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one7(4H)-Benzothiazolone, 5,6-dihydro-5,5-dimethyl-2-(4-morpholinyl)-
Show more names
3dpd5,5-Dimethyl-2-(morpholin-4-yl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one;UNII-QDN0FW2IO9Oprea1_021222Oprea1_045856SCHEMBL304345HMS3604M08BDBM50261834
Database identifiers
- CAS
15091-04-0- PubChem CID
- 622262
- ChEMBL
CHEMBL469099- UNII
- QDN0FW2IO9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 148 · 148 - 152°C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly)
- form
- Solid
- color
- Pale Yellow to Light Yellow
- FDA UNII
- 0 FW2IO9 · QDN0FW2IO9
Chemistry & industry
Applications
Uses5,6-Dihydro-5,5-dimethyl-2-(4-morpholinyl)-7(4H)-benzothiazolone is a thiazolyl morpholine derivative as potent and selective inhibitor of phosphoinositide 3-kinase.
Related reactions
4 records
Compound notes
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