2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C19H16ClNO4S — CID 20988566

About 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 20988566) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
• PubChem CID: 20988566
• Molecular Formula: C19H16ClNO4S
• Molecular Weight: 389.86 g/mol
• Exact Mass: 389.05
• IUPAC Name: 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
• SMILES: COc1cccc(-c2nc(C)c(C(=O)O)s2)c1OCc1cccc(Cl)c1
• InChI: InChI=1S/C19H16ClNO4S/c1-11-17(19(22)23)26-18(21-11)14-7-4-8-15(24-2)16(14)25-10-12-5-3-6-13(20)9-12/h3-9H,10H2,1-2H3,(H,22,23)
• InChIKey: WYJKYINVWKLTTQ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.86
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?

The IUPAC name of 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 20988566) is 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

What is the SMILES notation for 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?

The canonical SMILES for 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is COc1cccc(-c2nc(C)c(C(=O)O)s2)c1OCc1cccc(Cl)c1.

What is the InChIKey of 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?

The InChIKey is WYJKYINVWKLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-11-17(19(22)23)26-18(21-11)14-7-4-8-15(24-2)16(14)25-10-12-5-3-6-13(20)9-12/h3-9H,10H2,1-2H3,(H,22,23).

What are the key properties of 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?

2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 389.86 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 20988566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).