methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C19H20N2O4S — CID 24867325

IUPACmethyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1/C=C\c1ccccc1OC
InChIInChI=1S/C19H20N2O4S/c1-11-16(18(23)25-4)14(21-17(22)12(2)26-19(21)20-11)10-9-13-7-5-6-8-15(13)24-3/h5-10,12,14H,1-4H3/b10-9-/t12-,14-/m1/s1
InChIKeyWRUAIRBPKXSESV-YJCXCIGHSA-N
MW372.45 g/mol
LogP2.86
Rot. Bonds4

About methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 24867325) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID24867325
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1/C=C\c1ccccc1OC
InChIInChI=1S/C19H20N2O4S/c1-11-16(18(23)25-4)14(21-17(22)12(2)26-19(21)20-11)10-9-13-7-5-6-8-15(13)24-3/h5-10,12,14H,1-4H3/b10-9-/t12-,14-/m1/s1
InChIKeyWRUAIRBPKXSESV-YJCXCIGHSA-N
XLogP2.86
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-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

benzyl (2S,5S)-2-ethyl-5-[(E)-2-(2-methoxyphenyl)ethenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 26478956
methyl (2R,5R)-5-(2,5-dimethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2143380
methyl 5-(2-chlorophenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3303042
methyl (2S,5R)-5-(3,4-diethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2059911
methyl (2R,5R)-5-(3,4-diethoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2059909
propan-2-yl 2,7-dimethyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3308318
methyl (2Z,5S)-2-[(2,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2248116
ethyl (2R,5R)-2,7-dimethyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6975557
prop-2-enyl (2R,5R)-5-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2053470
methyl 5-(2-chlorophenyl)-2-[3-(2-methoxyphenyl)prop-2-enylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 23963005
methyl 6-(2-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 44614913
ethyl (2R,5S)-5-(2-chlorophenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7188178

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 24867325) is methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1/C=C\c1ccccc1OC.
What is the InChIKey of methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is WRUAIRBPKXSESV-YJCXCIGHSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-11-16(18(23)25-4)14(21-17(22)12(2)26-19(21)20-11)10-9-13-7-5-6-8-15(13)24-3/h5-10,12,14H,1-4H3/b10-9-/t12-,14-/m1/s1.
What are the key properties of methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-5-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 24867325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).