3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid

C20H19NO4S — CID 10067679

IUPAC3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid
SMILESCOc1ccc(-c2nc(CCC(=O)O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-24-15-7-3-13(4-8-15)19-20(14-5-9-16(25-2)10-6-14)26-17(21-19)11-12-18(22)23/h3-10H,11-12H2,1-2H3,(H,22,23)
InChIKeySGHNJMBVVMKJIG-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.51
Rot. Bonds7

About 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid

3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 10067679) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID10067679
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid
SMILESCOc1ccc(-c2nc(CCC(=O)O)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-24-15-7-3-13(4-8-15)19-20(14-5-9-16(25-2)10-6-14)26-17(21-19)11-12-18(22)23/h3-10H,11-12H2,1-2H3,(H,22,23)
InChIKeySGHNJMBVVMKJIG-UHFFFAOYSA-N
XLogP4.51
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid 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-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid (CID 10067679) is 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid is COc1ccc(-c2nc(CCC(=O)O)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is SGHNJMBVVMKJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-24-15-7-3-13(4-8-15)19-20(14-5-9-16(25-2)10-6-14)26-17(21-19)11-12-18(22)23/h3-10H,11-12H2,1-2H3,(H,22,23).
What are the key properties of 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid?
3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 369.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 10067679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).