ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H26N4O5S — CID 5435643

IUPACethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C24H26N4O5S/c1-7-33-23(30)20-13(2)26-24-28(21(20)17-9-8-16(31-5)11-18(17)32-6)22(29)19(34-24)10-15-12-25-27(4)14(15)3/h8-12,21H,7H2,1-6H3/b19-10-/t21-/m0/s1
InChIKeyKVJOOKRYMHIXKL-LYFUXTGPSA-N
MW482.56 g/mol
LogP1.86
Rot. Bonds6

About ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 5435643) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID5435643
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Nameethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C24H26N4O5S/c1-7-33-23(30)20-13(2)26-24-28(21(20)17-9-8-16(31-5)11-18(17)32-6)22(29)19(34-24)10-15-12-25-27(4)14(15)3/h8-12,21H,7H2,1-6H3/b19-10-/t21-/m0/s1
InChIKeyKVJOOKRYMHIXKL-LYFUXTGPSA-N
XLogP1.86
TPSA96.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl (2E)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5291370
ethyl (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 21229053
ethyl (2Z)-2-benzylidene-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6107780
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-[(2,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2286004
ethyl (2Z,5S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124543178
ethyl (5S)-5-(2,4-dimethoxyphenyl)-2-(1H-indol-3-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1037243
ethyl (2Z)-5-(2,4-dimethoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6262442
ethyl 5-(2,4-dimethoxyphenyl)-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3713964
ethyl (5R)-5-(2,4-dimethoxyphenyl)-7-methyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129441798
ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2260726
ethyl (2Z,5R)-2-[(3,5-dibromo-4-methoxyphenyl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124598899
ethyl (2Z,5S)-2-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124598731

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 5435643) is ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC.
What is the InChIKey of ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is KVJOOKRYMHIXKL-LYFUXTGPSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-7-33-23(30)20-13(2)26-24-28(21(20)17-9-8-16(31-5)11-18(17)32-6)22(29)19(34-24)10-15-12-25-27(4)14(15)3/h8-12,21H,7H2,1-6H3/b19-10-/t21-/m0/s1.
What are the key properties of ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 482.56 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,5S)-5-(2,4-dimethoxyphenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5435643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).