ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C25H27N3O6S — CID 42830215

IUPACethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H27N3O6S/c1-5-33-24(30)22-15(2)27-25-28(23(22)16-8-9-19(31-3)20(11-16)32-4)17(14-35-25)12-21(29)26-13-18-7-6-10-34-18/h6-11,14,23H,5,12-13H2,1-4H3,(H,26,29)
InChIKeyOUFFPZBTTMZHDE-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.14
Rot. Bonds9

About ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42830215) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID42830215
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Nameethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H27N3O6S/c1-5-33-24(30)22-15(2)27-25-28(23(22)16-8-9-19(31-3)20(11-16)32-4)17(14-35-25)12-21(29)26-13-18-7-6-10-34-18/h6-11,14,23H,5,12-13H2,1-4H3,(H,26,29)
InChIKeyOUFFPZBTTMZHDE-UHFFFAOYSA-N
XLogP4.14
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

ethyl (5R)-5-(2,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98310462
ethyl (5R)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98358573
ethyl (5R)-5-(3-fluorophenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98358593
methyl (5R)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98355174
methyl (5S)-5-(2,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98358562
prop-2-enyl 5-(2,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42830110
ethyl 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42831576
benzyl (5R)-5-(2,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98310746
prop-2-enyl (5R)-5-(2,3-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98310646
ethyl (5S)-5-(4-chlorophenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98385298
methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828839
prop-2-enyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98303224

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42830215) is ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCc3ccco3)N2C1c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is OUFFPZBTTMZHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-5-33-24(30)22-15(2)27-25-28(23(22)16-8-9-19(31-3)20(11-16)32-4)17(14-35-25)12-21(29)26-13-18-7-6-10-34-18/h6-11,14,23H,5,12-13H2,1-4H3,(H,26,29).
What are the key properties of ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 497.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42830215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).