2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid

C24H19N3O4S3 — CID 10255741

About 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid

2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 10255741) has the molecular formula C24H19N3O4S3 and a molecular weight of 509.63 g/mol. Its IUPAC name is 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid
• PubChem CID: 10255741
• Molecular Formula: C24H19N3O4S3
• Molecular Weight: 509.63 g/mol
• Exact Mass: 509.05
• IUPAC Name: 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid
• SMILES: COc1ccc(-c2csc(-c3csc(N4C(=O)C(CC(=O)O)SC4c4ccccc4)n3)n2)cc1
• InChI: InChI=1S/C24H19N3O4S3/c1-31-16-9-7-14(8-10-16)17-12-32-21(25-17)18-13-33-24(26-18)27-22(30)19(11-20(28)29)34-23(27)15-5-3-2-4-6-15/h2-10,12-13,19,23H,11H2,1H3,(H,28,29)
• InChIKey: ZQTKQTDGNJLRSR-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 92.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.63
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid?

The IUPAC name of 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid (CID 10255741) is 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid.

What is the SMILES notation for 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid?

The canonical SMILES for 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid is COc1ccc(-c2csc(-c3csc(N4C(=O)C(CC(=O)O)SC4c4ccccc4)n3)n2)cc1.

What is the InChIKey of 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid?

The InChIKey is ZQTKQTDGNJLRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S3/c1-31-16-9-7-14(8-10-16)17-12-32-21(25-17)18-13-33-24(26-18)27-22(30)19(11-20(28)29)34-23(27)15-5-3-2-4-6-15/h2-10,12-13,19,23H,11H2,1H3,(H,28,29).

What are the key properties of 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid?

2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 509.63 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 10255741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).