5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one

C13H18N2O2S — CID 622262

IUPAC5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC1(C)CC(=O)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3
InChIKeyDZXMARZBAUMWLK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.13
Rot. Bonds1

About 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one

5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 622262) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID622262
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC1(C)CC(=O)c2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3
InChIKeyDZXMARZBAUMWLK-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
CID 616821
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 741972
2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 617191
5,5-dimethyl-2-(piperidin-1-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 622000
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-ethoxyacetamide
CID 3155103
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 741973
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclohexane]-7-one
CID 11998445
rac-2-morpholino-5-propyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998447
rac-5-methyl-2-morpholino-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 11998448
2-(morpholin-4-yl)-6,7-dihydro-4H-spiro[1,3-benzothiazole-5,1''-cyclopentane]-7-one
CID 16081736
2-(diethylamino)-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 2872481
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 3152645

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one (CID 622262) is 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one is CC1(C)CC(=O)c2sc(N3CCOCC3)nc2C1.
What is the InChIKey of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is DZXMARZBAUMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2)7-9-11(10(16)8-13)18-12(14-9)15-3-5-17-6-4-15/h3-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one?
5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 266.37 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 622262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).