2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H32N2O6S — CID 3325865

IUPAC2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCC1SC2=NC(C)=C(C(=O)OCCOC)C(c3ccc(OCC(C)C)c(OC)c3)N2C1=O
InChIInChI=1S/C24H32N2O6S/c1-7-19-22(27)26-21(16-8-9-17(18(12-16)30-6)32-13-14(2)3)20(15(4)25-24(26)33-19)23(28)31-11-10-29-5/h8-9,12,14,19,21H,7,10-11,13H2,1-6H3
InChIKeyFCHAKDFQIVGDRO-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.96
Rot. Bonds10

About 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 3325865) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID3325865
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCC1SC2=NC(C)=C(C(=O)OCCOC)C(c3ccc(OCC(C)C)c(OC)c3)N2C1=O
InChIInChI=1S/C24H32N2O6S/c1-7-19-22(27)26-21(16-8-9-17(18(12-16)30-6)32-13-14(2)3)20(15(4)25-24(26)33-19)23(28)31-11-10-29-5/h8-9,12,14,19,21H,7,10-11,13H2,1-6H3
InChIKeyFCHAKDFQIVGDRO-UHFFFAOYSA-N
XLogP3.96
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3095871
2-methoxyethyl (2R,5R)-2-ethyl-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2053420
prop-2-enyl 5-(4-ethoxy-3-methoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3328036
prop-2-enyl (2R,5R)-5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2053444
2-methylpropyl 5-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3310424
2-methylpropyl (2S,5R)-5-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2053332
2-methylpropyl 2-ethyl-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3254640
2-methoxyethyl (2S,5R)-5-(3-chlorophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2143303
methyl (2R,5R)-2-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2142545
2-methylpropyl (2S,5R)-5-(4-acetyloxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2143158
2-methoxyethyl 5-(2-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3325717
methyl 6-[3-methoxy-4-(2-methylpropoxy)phenyl]-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 4053777

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 3325865) is 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCC1SC2=NC(C)=C(C(=O)OCCOC)C(c3ccc(OCC(C)C)c(OC)c3)N2C1=O.
What is the InChIKey of 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is FCHAKDFQIVGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-7-19-22(27)26-21(16-8-9-17(18(12-16)30-6)32-13-14(2)3)20(15(4)25-24(26)33-19)23(28)31-11-10-29-5/h8-9,12,14,19,21H,7,10-11,13H2,1-6H3.
What are the key properties of 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 476.60 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-ethyl-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3325865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).