3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide

C19H19FN2O3S — CID 53269263

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc3c(F)cccc3s2)cc1OC
InChIInChI=1S/C19H19FN2O3S/c1-3-25-14-9-7-12(11-15(14)24-2)8-10-17(23)21-19-22-18-13(20)5-4-6-16(18)26-19/h4-7,9,11H,3,8,10H2,1-2H3,(H,21,22,23)
InChIKeyIEPVXMWWOCZTLP-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.41
Rot. Bonds7

About 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide

3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 53269263) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
PubChem CID53269263
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc3c(F)cccc3s2)cc1OC
InChIInChI=1S/C19H19FN2O3S/c1-3-25-14-9-7-12(11-15(14)24-2)8-10-17(23)21-19-22-18-13(20)5-4-6-16(18)26-19/h4-7,9,11H,3,8,10H2,1-2H3,(H,21,22,23)
InChIKeyIEPVXMWWOCZTLP-UHFFFAOYSA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 53269144
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
N-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxyphenyl)propanamide
CID 2071811
3-(4-ethoxy-3-methoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221873
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 29496795
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378
(E)-3-(3,4-dimethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 43989017

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide (CID 53269263) is 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide is CCOc1ccc(CCC(=O)Nc2nc3c(F)cccc3s2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is IEPVXMWWOCZTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-3-25-14-9-7-12(11-15(14)24-2)8-10-17(23)21-19-22-18-13(20)5-4-6-16(18)26-19/h4-7,9,11H,3,8,10H2,1-2H3,(H,21,22,23).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide?
3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 53269263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).