2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

C24H17Cl2FN2O3S — CID 46165555

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide

2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46165555) has the molecular formula C24H17Cl2FN2O3S and a molecular weight of 503.38 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 46165555
• Molecular Formula: C24H17Cl2FN2O3S
• Molecular Weight: 503.38 g/mol
• Exact Mass: 502.03
• IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1cc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)ccc1OCc1c(F)cccc1Cl
• InChI: InChI=1S/C24H17Cl2FN2O3S/c1-31-22-10-14(8-9-21(22)32-12-17-18(26)6-3-7-19(17)27)24-29-20(13-33-24)23(30)28-16-5-2-4-15(25)11-16/h2-11,13H,12H2,1H3,(H,28,30)
• InChIKey: IGUITKRYSFWLAE-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.38
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 46165555) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)ccc1OCc1c(F)cccc1Cl.

What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is IGUITKRYSFWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O3S/c1-31-22-10-14(8-9-21(22)32-12-17-18(26)6-3-7-19(17)27)24-29-20(13-33-24)23(30)28-16-5-2-4-15(25)11-16/h2-11,13H,12H2,1H3,(H,28,30).

What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide?

2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 503.38 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46165555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).