ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C25H26N2O6S — CID 35214949

IUPACethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccco3)c2=O)=N1
InChIInChI=1S/C25H26N2O6S/c1-5-8-18-21(24(29)32-6-2)22(17-13-15(30-3)10-11-19(17)31-4)27-23(28)20(34-25(27)26-18)14-16-9-7-12-33-16/h7,9-14,22H,5-6,8H2,1-4H3/b20-14-/t22-/m1/s1
InChIKeyXSERKXULBMXWET-FBHQFGEZSA-N
MW482.56 g/mol
LogP3.19
Rot. Bonds8

About ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 35214949) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID35214949
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Nameethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccco3)c2=O)=N1
InChIInChI=1S/C25H26N2O6S/c1-5-8-18-21(24(29)32-6-2)22(17-13-15(30-3)10-11-19(17)31-4)27-23(28)20(34-25(27)26-18)14-16-9-7-12-33-16/h7,9-14,22H,5-6,8H2,1-4H3/b20-14-/t22-/m1/s1
InChIKeyXSERKXULBMXWET-FBHQFGEZSA-N
XLogP3.19
TPSA92.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl (2Z,5R)-2-[(4-tert-butylphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531482
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-[(3-hydroxyphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 27255028
ethyl (5S)-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1018325
ethyl (2Z,5R)-2-[(4-acetyloxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531544
ethyl (2Z)-2-[(2-acetyloxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6111677
ethyl (2Z,5S)-5-(2,5-dimethoxyphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531457
ethyl (2Z,5R)-2-[(3-acetyloxyphenyl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531546
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-[[4-(4-methoxybenzoyl)oxyphenyl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124600826
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-[[5-(4-methylpiperidin-1-yl)furan-2-yl]methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126281956
ethyl (2Z,5S)-2-[(4-bromo-5-pyrimidin-2-ylsulfanylfuran-2-yl)methylidene]-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126110562
ethyl (2Z,5S)-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126060884
ethyl (2Z,5S)-5-(2,5-dimethoxyphenyl)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124531521

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 35214949) is ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccco3)c2=O)=N1.
What is the InChIKey of ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is XSERKXULBMXWET-FBHQFGEZSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-5-8-18-21(24(29)32-6-2)22(17-13-15(30-3)10-11-19(17)31-4)27-23(28)20(34-25(27)26-18)14-16-9-7-12-33-16/h7,9-14,22H,5-6,8H2,1-4H3/b20-14-/t22-/m1/s1.
What are the key properties of ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 482.56 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,5R)-5-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 35214949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).