3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C21H22N2O3S — CID 19226097

IUPAC3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-26-18-9-4-15(5-10-18)6-13-20(24)23-21-22-19(14-27-21)16-7-11-17(25-2)12-8-16/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,22,23,24)
InChIKeySQBFKMGYTGNYBD-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.79
Rot. Bonds8

About 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19226097) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19226097
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-26-18-9-4-15(5-10-18)6-13-20(24)23-21-22-19(14-27-21)16-7-11-17(25-2)12-8-16/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,22,23,24)
InChIKeySQBFKMGYTGNYBD-UHFFFAOYSA-N
XLogP4.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 3649680
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521249
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119711335
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4184713

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 19226097) is 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCOc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SQBFKMGYTGNYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-26-18-9-4-15(5-10-18)6-13-20(24)23-21-22-19(14-27-21)16-7-11-17(25-2)12-8-16/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19226097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).