ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C28H25Br2N3O6S — CID 126117905

IUPACethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br
InChIInChI=1S/C28H25Br2N3O6S/c1-6-38-20-11-15(17(30)12-19(20)37-5)23-21(27(36)39-7-2)13(3)31-28-33(23)26(35)24(40-28)22-16-10-14(29)8-9-18(16)32(4)25(22)34/h8-12,23H,6-7H2,1-5H3/b24-22-/t23-/m1/s1
InChIKeyCVMLZUKUAVGWSN-UGUGFTGJSA-N
MW691.40 g/mol
LogP4.08
Rot. Bonds6

About ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126117905) has the molecular formula C28H25Br2N3O6S and a molecular weight of 691.40 g/mol. Its IUPAC name is ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID126117905
Molecular FormulaC28H25Br2N3O6S
Molecular Weight691.40 g/mol
Exact Mass688.98
IUPAC Nameethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br
InChIInChI=1S/C28H25Br2N3O6S/c1-6-38-20-11-15(17(30)12-19(20)37-5)23-21(27(36)39-7-2)13(3)31-28-33(23)26(35)24(40-28)22-16-10-14(29)8-9-18(16)32(4)25(22)34/h8-12,23H,6-7H2,1-5H3/b24-22-/t23-/m1/s1
InChIKeyCVMLZUKUAVGWSN-UGUGFTGJSA-N
XLogP4.08
TPSA99.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500691.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-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 (2E,5R)-5-(5-bromo-2-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126116132
ethyl (2Z,5S)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126128883
ethyl (2E,5S)-2-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126197437
ethyl (2E,5R)-2-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126197436
ethyl (2Z,5R)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-5-(4-methoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126118482
ethyl (2E,5R)-5-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126090269
ethyl (2Z,5S)-5-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126085965
ethyl (2E,5S)-5-(2-bromo-4,5-dimethoxyphenyl)-2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126343774
ethyl (2E,5R)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-7-methyl-2-[(10-methylphenothiazin-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126155915
ethyl 7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3661338
ethyl (2E,5R)-5-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126090521
ethyl (2E,5R)-5-(2-bromo-4-ethoxy-5-methoxyphenyl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126095992

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126117905) is ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br.
What is the InChIKey of ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is CVMLZUKUAVGWSN-UGUGFTGJSA-N. The full InChI is InChI=1S/C28H25Br2N3O6S/c1-6-38-20-11-15(17(30)12-19(20)37-5)23-21(27(36)39-7-2)13(3)31-28-33(23)26(35)24(40-28)22-16-10-14(29)8-9-18(16)32(4)25(22)34/h8-12,23H,6-7H2,1-5H3/b24-22-/t23-/m1/s1.
What are the key properties of ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 691.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,5S)-5-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126117905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).