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

C24H27N5O3S — CID 1038470

IUPACethyl (5R)-5-[4-(dimethylamino)phenyl]-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=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H27N5O3S/c1-7-32-23(31)20-14(2)26-24-29(21(20)16-8-10-18(11-9-16)27(4)5)22(30)19(33-24)12-17-13-25-28(6)15(17)3/h8-13,21H,7H2,1-6H3/t21-/m1/s1
InChIKeyRNVWQEXZOPUPTN-OAQYLSRUSA-N
MW465.58 g/mol
LogP1.91
Rot. Bonds5

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

ethyl (5R)-5-[4-(dimethylamino)phenyl]-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 1038470) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is ethyl (5R)-5-[4-(dimethylamino)phenyl]-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 (5R)-5-[4-(dimethylamino)phenyl]-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID1038470
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Nameethyl (5R)-5-[4-(dimethylamino)phenyl]-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=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H27N5O3S/c1-7-32-23(31)20-14(2)26-24-29(21(20)16-8-10-18(11-9-16)27(4)5)22(30)19(33-24)12-17-13-25-28(6)15(17)3/h8-13,21H,7H2,1-6H3/t21-/m1/s1
InChIKeyRNVWQEXZOPUPTN-OAQYLSRUSA-N
XLogP1.91
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (5R)-5-[4-(dimethylamino)phenyl]-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 (5S)-5-[4-(dimethylamino)phenyl]-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1038469
ethyl (2Z)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6116329
ethyl (5R)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129445001
ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5286409
ethyl (5S)-2-[(2-chlorophenyl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7014071
ethyl (2Z,5R)-2-[[4-(dimethylamino)phenyl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2258917
ethyl (2Z,5S)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124635279
ethyl (5S)-5-[4-(dimethylamino)phenyl]-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129445152
ethyl (2E,5R)-5-[4-(dimethylamino)phenyl]-2-[(4-iodophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2286121
ethyl (5R)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 986854
ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 16957270
ethyl (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5339852

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-[4-(dimethylamino)phenyl]-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 (5R)-5-[4-(dimethylamino)phenyl]-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 1038470) is ethyl (5R)-5-[4-(dimethylamino)phenyl]-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 (5R)-5-[4-(dimethylamino)phenyl]-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 (5R)-5-[4-(dimethylamino)phenyl]-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=c2sc(=Cc3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl (5R)-5-[4-(dimethylamino)phenyl]-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is RNVWQEXZOPUPTN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-7-32-23(31)20-14(2)26-24-29(21(20)16-8-10-18(11-9-16)27(4)5)22(30)19(33-24)12-17-13-25-28(6)15(17)3/h8-13,21H,7H2,1-6H3/t21-/m1/s1.
What are the key properties of ethyl (5R)-5-[4-(dimethylamino)phenyl]-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (5R)-5-[4-(dimethylamino)phenyl]-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 465.58 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-[4-(dimethylamino)phenyl]-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 1038470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).