2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide

C21H21FN2O3S — CID 55382597

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3S/c1-4-24(17-8-6-15(22)7-9-17)20(25)12-16-13-28-21(23-16)14-5-10-18(26-2)19(11-14)27-3/h5-11,13H,4,12H2,1-3H3
InChIKeyHOGMTMINTHYNPK-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.56
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 55382597) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID55382597
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O3S/c1-4-24(17-8-6-15(22)7-9-17)20(25)12-16-13-28-21(23-16)14-5-10-18(26-2)19(11-14)27-3/h5-11,13H,4,12H2,1-3H3
InChIKeyHOGMTMINTHYNPK-UHFFFAOYSA-N
XLogP4.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 52700925
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 31011595
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-fluoro-2-methoxybenzoate
CID 31221439
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
(E)-3-(3,4-dimethoxyphenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
CID 7522136
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642682
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55583357
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7966259
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide (CID 55382597) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is HOGMTMINTHYNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-4-24(17-8-6-15(22)7-9-17)20(25)12-16-13-28-21(23-16)14-5-10-18(26-2)19(11-14)27-3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55382597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).