ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C30H20Br2ClF3N2O4S — CID 124598486

IUPACethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C30H20Br2ClF3N2O4S/c1-2-41-28(40)24-25(17-5-10-21(33)11-6-17)38-27(39)23(43-29(38)37-26(24)30(34,35)36)14-18-13-20(32)9-12-22(18)42-15-16-3-7-19(31)8-4-16/h3-14,25H,2,15H2,1H3/b23-14-/t25-/m1/s1
InChIKeyLZALVDVBQIULNO-CBYYHRJHSA-N
MW756.82 g/mol
LogP7.10
Rot. Bonds7

About ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 124598486) has the molecular formula C30H20Br2ClF3N2O4S and a molecular weight of 756.82 g/mol. Its IUPAC name is ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID124598486
Molecular FormulaC30H20Br2ClF3N2O4S
Molecular Weight756.82 g/mol
Exact Mass753.92
IUPAC Nameethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C30H20Br2ClF3N2O4S/c1-2-41-28(40)24-25(17-5-10-21(33)11-6-17)38-27(39)23(43-29(38)37-26(24)30(34,35)36)14-18-13-20(32)9-12-22(18)42-15-16-3-7-19(31)8-4-16/h3-14,25H,2,15H2,1H3/b23-14-/t25-/m1/s1
InChIKeyLZALVDVBQIULNO-CBYYHRJHSA-N
XLogP7.10
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.82
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (2Z,5R)-2-[[3-bromo-2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124598596
ethyl (2Z,5S)-2-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124598555
ethyl (2Z,5R)-2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124599599
ethyl (2Z,5R)-2-[[2-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124599458
ethyl (2Z,5S)-5-(4-chlorophenyl)-2-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124598521
ethyl (2Z,5R)-2-[[5-bromo-2-[(4-ethoxycarbonylphenyl)methoxy]-3-iodophenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124599555
ethyl (2Z,5S)-2-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124599100
ethyl (2Z,5R)-2-[[3-bromo-4-[(4-ethoxycarbonylphenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124599646
ethyl (2Z,5R)-5-(4-chlorophenyl)-2-[(5-chloro-2-prop-2-enoxyphenyl)methylidene]-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124530884
ethyl (2Z,5S)-2-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124599404
ethyl (2Z,5S)-5-(4-chlorophenyl)-2-[[3,5-dichloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124598549
ethyl (2Z,5S)-5-(4-chlorophenyl)-2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124599927

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 124598486) is ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)ccc3OCc3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is LZALVDVBQIULNO-CBYYHRJHSA-N. The full InChI is InChI=1S/C30H20Br2ClF3N2O4S/c1-2-41-28(40)24-25(17-5-10-21(33)11-6-17)38-27(39)23(43-29(38)37-26(24)30(34,35)36)14-18-13-20(32)9-12-22(18)42-15-16-3-7-19(31)8-4-16/h3-14,25H,2,15H2,1H3/b23-14-/t25-/m1/s1.
What are the key properties of ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 756.82 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,5R)-2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 124598486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).