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

C23H24F3NO4S2 — CID 71069825

IUPACmethyl 2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate
SMILESCOC(=O)CSc1cc(OC)c(OCC2SC(c3ccc(C(F)(F)F)cc3)=NC2C)cc1C
InChIInChI=1S/C23H24F3NO4S2/c1-13-9-18(17(29-3)10-19(13)32-12-21(28)30-4)31-11-20-14(2)27-22(33-20)15-5-7-16(8-6-15)23(24,25)26/h5-10,14,20H,11-12H2,1-4H3
InChIKeyYXSKCURWSOXCKT-UHFFFAOYSA-N
MW499.58 g/mol
LogP5.62
Rot. Bonds8

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

methyl 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 71069825) has the molecular formula C23H24F3NO4S2 and a molecular weight of 499.58 g/mol. Its IUPAC name is methyl 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 Namemethyl 2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate
PubChem CID71069825
Molecular FormulaC23H24F3NO4S2
Molecular Weight499.58 g/mol
Exact Mass499.11
IUPAC Namemethyl 2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate
SMILESCOC(=O)CSc1cc(OC)c(OCC2SC(c3ccc(C(F)(F)F)cc3)=NC2C)cc1C
InChIInChI=1S/C23H24F3NO4S2/c1-13-9-18(17(29-3)10-19(13)32-12-21(28)30-4)31-11-20-14(2)27-22(33-20)15-5-7-16(8-6-15)23(24,25)26/h5-10,14,20H,11-12H2,1-4H3
InChIKeyYXSKCURWSOXCKT-UHFFFAOYSA-N
XLogP5.62
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 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 methyl 2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate (CID 71069825) is methyl 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 methyl 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 methyl 2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate is COC(=O)CSc1cc(OC)c(OCC2SC(c3ccc(C(F)(F)F)cc3)=NC2C)cc1C.
What is the InChIKey of methyl 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 YXSKCURWSOXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO4S2/c1-13-9-18(17(29-3)10-19(13)32-12-21(28)30-4)31-11-20-14(2)27-22(33-20)15-5-7-16(8-6-15)23(24,25)26/h5-10,14,20H,11-12H2,1-4H3.
What are the key properties of methyl 2-[5-methoxy-2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-5-yl]methoxy]phenyl]sulfanylacetate?
methyl 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 499.58 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 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 71069825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).