2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C27H24F2N2O4S — CID 42865953

About 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 42865953) has the molecular formula C27H24F2N2O4S and a molecular weight of 510.56 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42865953
• Molecular Formula: C27H24F2N2O4S
• Molecular Weight: 510.56 g/mol
• Exact Mass: 510.14
• IUPAC Name: 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(CCNC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)c(OC)c3)n2)cc1
• InChI: InChI=1S/C27H24F2N2O4S/c1-33-21-8-3-17(4-9-21)11-12-30-26(32)23-16-36-27(31-23)18-6-10-24(25(13-18)34-2)35-15-19-5-7-20(28)14-22(19)29/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,30,32)
• InChIKey: CLQKAZFLVYQSBN-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.56
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 42865953) is 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1ccc(CCNC(=O)c2csc(-c3ccc(OCc4ccc(F)cc4F)c(OC)c3)n2)cc1.

What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?

The InChIKey is CLQKAZFLVYQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O4S/c1-33-21-8-3-17(4-9-21)11-12-30-26(32)23-16-36-27(31-23)18-6-10-24(25(13-18)34-2)35-15-19-5-7-20(28)14-22(19)29/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,30,32).

What are the key properties of 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?

2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).