methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C30H33N3O6S — CID 98357272

IUPACmethyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C30H33N3O6S/c1-19-27(29(35)37-3)28(21-11-12-24(25(14-21)36-2)39-17-20-8-5-4-6-9-20)33-22(18-40-30(33)32-19)15-26(34)31-16-23-10-7-13-38-23/h4-6,8-9,11-12,14,18,23,28H,7,10,13,15-17H2,1-3H3,(H,31,34)/t23-,28-/m1/s1
InChIKeyOEVATSQXHYHJHL-QDPGVEIFSA-N
MW563.68 g/mol
LogP4.71
Rot. Bonds10

About methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98357272) has the molecular formula C30H33N3O6S and a molecular weight of 563.68 g/mol. Its IUPAC name is methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID98357272
Molecular FormulaC30H33N3O6S
Molecular Weight563.68 g/mol
Exact Mass563.21
IUPAC Namemethyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C30H33N3O6S/c1-19-27(29(35)37-3)28(21-11-12-24(25(14-21)36-2)39-17-20-8-5-4-6-9-20)33-22(18-40-30(33)32-19)15-26(34)31-16-23-10-7-13-38-23/h4-6,8-9,11-12,14,18,23,28H,7,10,13,15-17H2,1-3H3,(H,31,34)/t23-,28-/m1/s1
InChIKeyOEVATSQXHYHJHL-QDPGVEIFSA-N
XLogP4.71
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.68
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-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

methyl (5S)-7-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98388590
2-methoxyethyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357423
methyl (5S)-5-(2-methoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357316
benzyl (5S)-7-methyl-3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98153311
methyl 7-methyl-5-(3-methylphenyl)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827938
benzyl 5-(4-chlorophenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828923
propan-2-yl 5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42831746
methyl 5-(2-chlorophenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827889
propan-2-yl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98275395
tert-butyl (5S)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98154055
tert-butyl (5S)-5-(2-methoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357199
ethyl (5S)-7-methyl-3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357353

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98357272) is methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is OEVATSQXHYHJHL-QDPGVEIFSA-N. The full InChI is InChI=1S/C30H33N3O6S/c1-19-27(29(35)37-3)28(21-11-12-24(25(14-21)36-2)39-17-20-8-5-4-6-9-20)33-22(18-40-30(33)32-19)15-26(34)31-16-23-10-7-13-38-23/h4-6,8-9,11-12,14,18,23,28H,7,10,13,15-17H2,1-3H3,(H,31,34)/t23-,28-/m1/s1.
What are the key properties of methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 563.68 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98357272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).