methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H24N2O5S — CID 2917787

IUPACmethyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCCOc1ccccc1C1C(C(=O)OC)=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n21
InChIInChI=1S/C24H24N2O5S/c1-5-12-30-18-9-7-6-8-17(18)21-20(23(28)29-4)15(3)25-24-26(21)22(27)19(32-24)13-16-11-10-14(2)31-16/h6-11,13,21H,5,12H2,1-4H3
InChIKeyBZNSFPQGBRDMFS-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.10
Rot. Bonds6

About methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 2917787) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID2917787
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Namemethyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCCOc1ccccc1C1C(C(=O)OC)=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n21
InChIInChI=1S/C24H24N2O5S/c1-5-12-30-18-9-7-6-8-17(18)21-20(23(28)29-4)15(3)25-24-26(21)22(27)19(32-24)13-16-11-10-14(2)31-16/h6-11,13,21H,5,12H2,1-4H3
InChIKeyBZNSFPQGBRDMFS-UHFFFAOYSA-N
XLogP3.10
TPSA83.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

2-[5-[(E)-[(5R)-6-methoxycarbonyl-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid
CID 126171257
methyl (5S)-5-(2-chlorophenyl)-7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129444766
methyl 7-methyl-3-oxo-5-(2-propoxyphenyl)-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2917747
methyl (5S)-2-[(2,3-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129442698
methyl 2-[(2,3-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3592055
methyl (2Z,5S)-2-(1H-indol-3-ylmethylidene)-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2292519
2-methoxyethyl (2E,5R)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126021820
2-methoxyethyl (2E,5S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126021817
methyl 2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2918195
2-methoxyethyl (2E,5S)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126021215
methyl (2Z)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2922858
methyl (2E,5S)-5-(5-chloro-2-propoxyphenyl)-2-[[5-(3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126166172

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 2917787) is methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCCOc1ccccc1C1C(C(=O)OC)=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n21.
What is the InChIKey of methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is BZNSFPQGBRDMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-5-12-30-18-9-7-6-8-17(18)21-20(23(28)29-4)15(3)25-24-26(21)22(27)19(32-24)13-16-11-10-14(2)31-16/h6-11,13,21H,5,12H2,1-4H3.
What are the key properties of methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 452.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-5-(2-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2917787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).