3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide

C22H23FN2O4S — CID 57414897

IUPAC3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(Cc2cnc(NC(=O)CCc3ccc(F)cc3)s2)c(OC)c1OC
InChIInChI=1S/C22H23FN2O4S/c1-27-18-10-7-15(20(28-2)21(18)29-3)12-17-13-24-22(30-17)25-19(26)11-6-14-4-8-16(23)9-5-14/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,25,26)
InChIKeySDYQGTXLWVDYHO-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.47
Rot. Bonds9

About 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide

3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 57414897) has the molecular formula C22H23FN2O4S and a molecular weight of 430.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID57414897
Molecular FormulaC22H23FN2O4S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC Name3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(Cc2cnc(NC(=O)CCc3ccc(F)cc3)s2)c(OC)c1OC
InChIInChI=1S/C22H23FN2O4S/c1-27-18-10-7-15(20(28-2)21(18)29-3)12-17-13-24-22(30-17)25-19(26)11-6-14-4-8-16(23)9-5-14/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,25,26)
InChIKeySDYQGTXLWVDYHO-UHFFFAOYSA-N
XLogP4.47
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 57414897) is 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide is COc1ccc(Cc2cnc(NC(=O)CCc3ccc(F)cc3)s2)c(OC)c1OC.
What is the InChIKey of 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is SDYQGTXLWVDYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4S/c1-27-18-10-7-15(20(28-2)21(18)29-3)12-17-13-24-22(30-17)25-19(26)11-6-14-4-8-16(23)9-5-14/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,24,25,26).
What are the key properties of 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 430.50 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[5-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 57414897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).