2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C23H18F2N2O4S — CID 42865996

About 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 42865996) has the molecular formula C23H18F2N2O4S and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 42865996
• Molecular Formula: C23H18F2N2O4S
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.10
• IUPAC Name: 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1cc(F)ccc1F
• InChI: InChI=1S/C23H18F2N2O4S/c1-29-21-10-14(4-7-20(21)31-12-15-9-16(24)5-6-18(15)25)23-27-19(13-32-23)22(28)26-11-17-3-2-8-30-17/h2-10,13H,11-12H2,1H3,(H,26,28)
• InChIKey: XHRKGXWQDMHRCV-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 42865996) is 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is COc1cc(-c2nc(C(=O)NCc3ccco3)cs2)ccc1OCc1cc(F)ccc1F.

What is the InChIKey of 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

The InChIKey is XHRKGXWQDMHRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O4S/c1-29-21-10-14(4-7-20(21)31-12-15-9-16(24)5-6-18(15)25)23-27-19(13-32-23)22(28)26-11-17-3-2-8-30-17/h2-10,13H,11-12H2,1H3,(H,26,28).

What are the key properties of 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?

2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).