methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H27N3O6S — CID 98356177

IUPACmethyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C23H27N3O6S/c1-14-20(22(28)31-4)21(17-12-16(29-2)5-6-18(17)30-3)26-15(13-33-23(26)24-14)11-19(27)25-7-9-32-10-8-25/h5-6,12-13,21H,7-11H2,1-4H3/t21-/m1/s1
InChIKeyYZZTZFJNYXPJBA-OAQYLSRUSA-N
MW473.55 g/mol
LogP2.70
Rot. Bonds6

About methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98356177) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID98356177
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Namemethyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C23H27N3O6S/c1-14-20(22(28)31-4)21(17-12-16(29-2)5-6-18(17)30-3)26-15(13-33-23(26)24-14)11-19(27)25-7-9-32-10-8-25/h5-6,12-13,21H,7-11H2,1-4H3/t21-/m1/s1
InChIKeyYZZTZFJNYXPJBA-OAQYLSRUSA-N
XLogP2.70
TPSA89.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 83279329
methyl 5-(3,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829083
ethyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98175345
ethyl (5R)-5-(2,5-dimethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98425246
ethyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98373305
benzyl (5S)-5-(2,4-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356253
prop-2-enyl (5R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98198430
prop-2-enyl (5S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98198427
(5R)-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98356117
tert-butyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356133
methyl 5-(2,5-dimethoxyphenyl)-3-[2-(4-fluoroanilino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829149
ethyl (5S)-5-(2,5-dimethoxyphenyl)-3-[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98355637

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98356177) is methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCOCC3)N2[C@@H]1c1cc(OC)ccc1OC.
What is the InChIKey of methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is YZZTZFJNYXPJBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-14-20(22(28)31-4)21(17-12-16(29-2)5-6-18(17)30-3)26-15(13-33-23(26)24-14)11-19(27)25-7-9-32-10-8-25/h5-6,12-13,21H,7-11H2,1-4H3/t21-/m1/s1.
What are the key properties of methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 473.55 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98356177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).