2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H24N2O3S — CID 55810242

IUPAC2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCCC1CCc2nc(NC(=O)Cc3ccc(OC)cc3OC)sc2C1
InChIInChI=1S/C19H24N2O3S/c1-4-12-5-8-15-17(9-12)25-19(20-15)21-18(22)10-13-6-7-14(23-2)11-16(13)24-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,20,21,22)
InChIKeyXTPZJFYEZZKLEV-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.86
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 55810242) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID55810242
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCCC1CCc2nc(NC(=O)Cc3ccc(OC)cc3OC)sc2C1
InChIInChI=1S/C19H24N2O3S/c1-4-12-5-8-15-17(9-12)25-19(20-15)21-18(22)10-13-6-7-14(23-2)11-16(13)24-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,20,21,22)
InChIKeyXTPZJFYEZZKLEV-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 16911849
2-(2,5-dimethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 78804088
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119713660
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60596798
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 155944261
(2S)-2-amino-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 119713639
2-(3-methoxyphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 43593374
2,4-dichloro-N-[2-[[2-[(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55931977
3-(3-fluoro-4-methoxyphenyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 46564510
methyl 2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11637431
(2S)-N-[(6S)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-methylsulfonylpropanamide
CID 94112837
N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 94666300

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 55810242) is 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CCC1CCc2nc(NC(=O)Cc3ccc(OC)cc3OC)sc2C1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XTPZJFYEZZKLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-12-5-8-15-17(9-12)25-19(20-15)21-18(22)10-13-6-7-14(23-2)11-16(13)24-3/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 55810242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).