ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate

C24H24F5NO4S2 — CID 71069869

About ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate

ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate (PubChem CID 71069869) has the molecular formula C24H24F5NO4S2 and a molecular weight of 549.58 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate.

Molecular Properties

• Compound Name: ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate
• PubChem CID: 71069869
• Molecular Formula: C24H24F5NO4S2
• Molecular Weight: 549.58 g/mol
• Exact Mass: 549.11
• IUPAC Name: ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate
• SMILES: CCOC(=O)C(F)(F)Sc1cc(OC)c(OCC2SC(c3ccc(C(F)(F)F)cc3)=NC2C)cc1C
• InChI: InChI=1S/C24H24F5NO4S2/c1-5-33-22(31)24(28,29)36-19-11-17(32-4)18(10-13(19)2)34-12-20-14(3)30-21(35-20)15-6-8-16(9-7-15)23(25,26)27/h6-11,14,20H,5,12H2,1-4H3
• InChIKey: NAANJEXHCKQNTD-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 57.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.58
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate?

The IUPAC name of ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate (CID 71069869) is ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate.

What is the SMILES notation for ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate?

The canonical SMILES for ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate is CCOC(=O)C(F)(F)Sc1cc(OC)c(OCC2SC(c3ccc(C(F)(F)F)cc3)=NC2C)cc1C.

What is the InChIKey of ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate?

The InChIKey is NAANJEXHCKQNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5NO4S2/c1-5-33-22(31)24(28,29)36-19-11-17(32-4)18(10-13(19)2)34-12-20-14(3)30-21(35-20)15-6-8-16(9-7-15)23(25,26)27/h6-11,14,20H,5,12H2,1-4H3.

What are the key properties of ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate?

ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate has a molecular weight of 549.58 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2,2-difluoro-2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate is sourced from PubChem (CID 71069869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).