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

C24H27N5O3S — CID 4774574

IUPACethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2sc(=Cc3ccn(CC)n3)c(=O)n2C1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H27N5O3S/c1-6-28-13-12-17(26-28)14-19-22(30)29-21(16-8-10-18(11-9-16)27(4)5)20(23(31)32-7-2)15(3)25-24(29)33-19/h8-14,21H,6-7H2,1-5H3
InChIKeyLWOAWPMKOBRPRI-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.08
Rot. Bonds6

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

ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 4774574) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID4774574
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Nameethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2sc(=Cc3ccn(CC)n3)c(=O)n2C1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H27N5O3S/c1-6-28-13-12-17(26-28)14-19-22(30)29-21(16-8-10-18(11-9-16)27(4)5)20(23(31)32-7-2)15(3)25-24(29)33-19/h8-14,21H,6-7H2,1-5H3
InChIKeyLWOAWPMKOBRPRI-UHFFFAOYSA-N
XLogP2.08
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
methyl (2E)-2-[(1-ethylpyrazol-3-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6388747
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 (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 (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 (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
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 (5S)-5-[4-(dimethylamino)phenyl]-2-[(3-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1016427
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,5S)-5-[4-(dimethylamino)phenyl]-2-[(3-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 29093582

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 4774574) is ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2sc(=Cc3ccn(CC)n3)c(=O)n2C1c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is LWOAWPMKOBRPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-6-28-13-12-17(26-28)14-19-22(30)29-21(16-8-10-18(11-9-16)27(4)5)20(23(31)32-7-2)15(3)25-24(29)33-19/h8-14,21H,6-7H2,1-5H3.
What are the key properties of ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-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 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(dimethylamino)phenyl]-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 4774574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).