propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H24N2O5S2 — CID 2288791

IUPACpropan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)c1
InChIInChI=1S/C24H24N2O5S2/c1-13(2)31-23(28)20-14(3)25-24-26(22(27)19(33-24)12-16-7-6-10-32-16)21(20)17-11-15(29-4)8-9-18(17)30-5/h6-13,21H,1-5H3/b19-12-/t21-/m1/s1
InChIKeyUUVRFMFJIGIGME-JAORQVBISA-N
MW484.60 g/mol
LogP3.27
Rot. Bonds6

About propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 2288791) has the molecular formula C24H24N2O5S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID2288791
Molecular FormulaC24H24N2O5S2
Molecular Weight484.60 g/mol
Exact Mass484.11
IUPAC Namepropan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)c1
InChIInChI=1S/C24H24N2O5S2/c1-13(2)31-23(28)20-14(3)25-24-26(22(27)19(33-24)12-16-7-6-10-32-16)21(20)17-11-15(29-4)8-9-18(17)30-5/h6-13,21H,1-5H3/b19-12-/t21-/m1/s1
InChIKeyUUVRFMFJIGIGME-JAORQVBISA-N
XLogP3.27
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

propan-2-yl 5-(2,5-dimethoxyphenyl)-7-methyl-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4577996
propan-2-yl (2E,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1209389
propan-2-yl (5R)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 984442
propan-2-yl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 21148290
propan-2-yl (2E,5S)-5-(2,5-dimethoxyphenyl)-7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1320878
propan-2-yl (2Z,5S)-2-[[2-(difluoromethoxy)phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126170970
propan-2-yl (2Z,5R)-2-[(2,4-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2146861
propan-2-yl (5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(5-phenylsulfanylfuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129442187
propan-2-yl 7-methyl-3-oxo-5-phenyl-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3316374
propan-2-yl (2Z)-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6168079
propan-2-yl (2Z,5S)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126174944
ethyl 5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2871741

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 2288791) is propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)c1.
What is the InChIKey of propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is UUVRFMFJIGIGME-JAORQVBISA-N. The full InChI is InChI=1S/C24H24N2O5S2/c1-13(2)31-23(28)20-14(3)25-24-26(22(27)19(33-24)12-16-7-6-10-32-16)21(20)17-11-15(29-4)8-9-18(17)30-5/h6-13,21H,1-5H3/b19-12-/t21-/m1/s1.
What are the key properties of propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2Z,5R)-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2288791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).