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

C20H24N2O4S — CID 55647137

IUPAC3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C20H24N2O4S/c1-20(2)10-14-18(15(23)11-20)27-19(21-14)22-17(24)8-5-12-9-13(25-3)6-7-16(12)26-4/h6-7,9H,5,8,10-11H2,1-4H3,(H,21,22,24)
InChIKeyVICDLSNNWCTHCX-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.89
Rot. Bonds6

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

3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 55647137) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID55647137
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1
InChIInChI=1S/C20H24N2O4S/c1-20(2)10-14-18(15(23)11-20)27-19(21-14)22-17(24)8-5-12-9-13(25-3)6-7-16(12)26-4/h6-7,9H,5,8,10-11H2,1-4H3,(H,21,22,24)
InChIKeyVICDLSNNWCTHCX-UHFFFAOYSA-N
XLogP3.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-aminophenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 120607950
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 3206740
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4163956
4-(2,3-dihydro-1H-inden-5-yl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 60511619
2-(1,3-benzodioxol-5-yl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)acetamide
CID 41107534
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 889800
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254572
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145751
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(2-phenoxyethoxy)acetamide
CID 55785941
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192248
3-(benzimidazol-1-yl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide
CID 60573642

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide (CID 55647137) is 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide is COc1ccc(OC)c(CCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is VICDLSNNWCTHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(2)10-14-18(15(23)11-20)27-19(21-14)22-17(24)8-5-12-9-13(25-3)6-7-16(12)26-4/h6-7,9H,5,8,10-11H2,1-4H3,(H,21,22,24).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide?
3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 55647137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).