2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C14H21NO2S — CID 116727497

IUPAC2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCOC(C)(C)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C14H21NO2S/c1-6-17-14(4,5)12-15-9-7-13(2,3)8-10(16)11(9)18-12/h6-8H2,1-5H3
InChIKeyMNBPDQQBRDOYEP-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.57
Rot. Bonds3

About 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 116727497) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID116727497
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCOC(C)(C)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C14H21NO2S/c1-6-17-14(4,5)12-15-9-7-13(2,3)8-10(16)11(9)18-12/h6-8H2,1-5H3
InChIKeyMNBPDQQBRDOYEP-UHFFFAOYSA-N
XLogP3.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62090244
2-(2-ethoxypropan-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 116727694
2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 587874
5,5-dimethyl-2-[methyl(pentan-3-yl)amino]-4,6-dihydro-1,3-benzothiazol-7-one
CID 62755996
2-[3,3-dimethylbutan-2-yl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62751474
2-[2-(dimethylamino)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 115346933
(2R)-2-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
CID 92660282
1-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-ethylimidazolidine-2,4,5-trione
CID 13387709
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4163956
2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62750640
2-[(2-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62090246
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(2-phenoxyethoxy)acetamide
CID 55785941

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 116727497) is 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CCOC(C)(C)c1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is MNBPDQQBRDOYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-6-17-14(4,5)12-15-9-7-13(2,3)8-10(16)11(9)18-12/h6-8H2,1-5H3.
What are the key properties of 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 267.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 116727497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).