ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H20N2O4S — CID 5431974

IUPACethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1
InChIInChI=1S/C23H20N2O4S/c1-3-28-22(27)19-15(2)24-23-25(20(19)16-9-5-4-6-10-16)21(26)18(30-23)13-7-11-17-12-8-14-29-17/h4-14,20H,3H2,1-2H3/b11-7+,18-13-/t20-/m0/s1
InChIKeyLXDSXHRYVSDJGD-ZOQYWAJWSA-N
MW420.49 g/mol
LogP3.06
Rot. Bonds5

About ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 5431974) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID5431974
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Nameethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1
InChIInChI=1S/C23H20N2O4S/c1-3-28-22(27)19-15(2)24-23-25(20(19)16-9-5-4-6-10-16)21(26)18(30-23)13-7-11-17-12-8-14-29-17/h4-14,20H,3H2,1-2H3/b11-7+,18-13-/t20-/m0/s1
InChIKeyLXDSXHRYVSDJGD-ZOQYWAJWSA-N
XLogP3.06
TPSA73.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl (2E,5S)-2-(furan-2-ylmethylidene)-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2256676
ethyl (2E)-5-(4-bromophenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 50874296
prop-2-enyl 2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3796940
ethyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5208059
ethyl (2E)-2-benzylidene-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5334088
methyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(Z)-3-phenylprop-2-enylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 21177838
ethyl (2E)-5-(3,4-diethoxyphenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 50874311
ethyl (2Z,5R)-2-(furan-2-ylmethylidene)-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2283732
ethyl (2E,5R)-5-(2-chlorophenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2055399
4-[(E)-[(5S)-6-ethoxycarbonyl-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]benzoic acid
CID 2719173
ethyl (2Z,5S)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5443639
ethyl (2E)-2-(furan-2-ylmethylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 50987994

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 5431974) is ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is LXDSXHRYVSDJGD-ZOQYWAJWSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-3-28-22(27)19-15(2)24-23-25(20(19)16-9-5-4-6-10-16)21(26)18(30-23)13-7-11-17-12-8-14-29-17/h4-14,20H,3H2,1-2H3/b11-7+,18-13-/t20-/m0/s1.
What are the key properties of ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,5S)-2-[(E)-3-(furan-2-yl)prop-2-enylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5431974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).