ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C25H23FN2O4S — CID 6525147

IUPACethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2C1c1ccc(F)cc1
InChIInChI=1S/C25H23FN2O4S/c1-4-31-19-9-7-6-8-17(19)14-20-23(29)28-22(16-10-12-18(26)13-11-16)21(24(30)32-5-2)15(3)27-25(28)33-20/h6-14,22H,4-5H2,1-3H3/b20-14-
InChIKeyOGNMSUSKUJRWGH-ZHZULCJRSA-N
MW466.53 g/mol
LogP3.34
Rot. Bonds6

About ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 6525147) has the molecular formula C25H23FN2O4S and a molecular weight of 466.53 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID6525147
Molecular FormulaC25H23FN2O4S
Molecular Weight466.53 g/mol
Exact Mass466.14
IUPAC Nameethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2C1c1ccc(F)cc1
InChIInChI=1S/C25H23FN2O4S/c1-4-31-19-9-7-6-8-17(19)14-20-23(29)28-22(16-10-12-18(26)13-11-16)21(24(30)32-5-2)15(3)27-25(28)33-20/h6-14,22H,4-5H2,1-3H3/b20-14-
InChIKeyOGNMSUSKUJRWGH-ZHZULCJRSA-N
XLogP3.34
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-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

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 6525147) is ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC)c(=O)n2C1c1ccc(F)cc1.
What is the InChIKey of ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is OGNMSUSKUJRWGH-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H23FN2O4S/c1-4-31-19-9-7-6-8-17(19)14-20-23(29)28-22(16-10-12-18(26)13-11-16)21(24(30)32-5-2)15(3)27-25(28)33-20/h6-14,22H,4-5H2,1-3H3/b20-14-.
What are the key properties of ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 466.53 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2-ethoxyphenyl)methylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 6525147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).