N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

C15H21N3O3S — CID 741973

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)CN3CCOCC3)nc2C1
InChIInChI=1S/C15H21N3O3S/c1-15(2)7-10-13(11(19)8-15)22-14(16-10)17-12(20)9-18-3-5-21-6-4-18/h3-9H2,1-2H3,(H,16,17,20)
InChIKeyJNUQAORZVXTFFC-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.57
Rot. Bonds3

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 741973) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID741973
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)CN3CCOCC3)nc2C1
InChIInChI=1S/C15H21N3O3S/c1-15(2)7-10-13(11(19)8-15)22-14(16-10)17-12(20)9-18-3-5-21-6-4-18/h3-9H2,1-2H3,(H,16,17,20)
InChIKeyJNUQAORZVXTFFC-UHFFFAOYSA-N
XLogP1.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
CID 622262
N-(5,5-Dimethyl-7-oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 741972
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-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(morpholin-4-yl)acetamide
CID 2945912
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-tetrahydrobenzo[d]thiazol-2-yl)cyclopropanecarboxamide
CID 3152380
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 N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide (CID 741973) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is CC1(C)CC(=O)c2sc(NC(=O)CN3CCOCC3)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is JNUQAORZVXTFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-15(2)7-10-13(11(19)8-15)22-14(16-10)17-12(20)9-18-3-5-21-6-4-18/h3-9H2,1-2H3,(H,16,17,20).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 323.42 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 741973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).