3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C19H20N2O3S — CID 19226041

IUPAC3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-24-14-7-4-13(5-8-14)6-11-18(22)21-19-20-16-10-9-15(23-2)12-17(16)25-19/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,20,21,22)
InChIKeyJRGSZPZDZPXUMJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.27
Rot. Bonds7

About 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 19226041) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID19226041
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C19H20N2O3S/c1-3-24-14-7-4-13(5-8-14)6-11-18(22)21-19-20-16-10-9-15(23-2)12-17(16)25-19/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,20,21,22)
InChIKeyJRGSZPZDZPXUMJ-UHFFFAOYSA-N
XLogP4.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 19226041) is 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is CCOc1ccc(CCC(=O)Nc2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is JRGSZPZDZPXUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-24-14-7-4-13(5-8-14)6-11-18(22)21-19-20-16-10-9-15(23-2)12-17(16)25-19/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,20,21,22).
What are the key properties of 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 356.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 19226041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).