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

C17H20N2O3S2 — CID 4697887

IUPACethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1sccc1C
InChIInChI=1S/C17H20N2O3S2/c1-5-11-15(20)19-13(14-9(3)7-8-23-14)12(16(21)22-6-2)10(4)18-17(19)24-11/h7-8,11,13H,5-6H2,1-4H3
InChIKeyOOQBNFBUCCZCGV-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.66
Rot. Bonds4

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

ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 4697887) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID4697887
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Nameethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1sccc1C
InChIInChI=1S/C17H20N2O3S2/c1-5-11-15(20)19-13(14-9(3)7-8-23-14)12(16(21)22-6-2)10(4)18-17(19)24-11/h7-8,11,13H,5-6H2,1-4H3
InChIKeyOOQBNFBUCCZCGV-UHFFFAOYSA-N
XLogP3.66
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-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

Related Compounds

ethyl (2R,5R)-5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2056520
ethyl (2R,5S)-2-ethyl-5-(3-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2143184
ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 660234
ethyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3095871
benzyl 2-ethyl-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3325866
2-methylpropyl 2-ethyl-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3254640
methyl (2R,5S)-2-ethyl-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1281535
2-methoxyethyl (2R,5R)-2-ethyl-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2053420
methyl 5-(4-ethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4164506
methyl (2S,5R)-2-ethyl-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7014667
methyl 5-(4-bromophenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4984208
propan-2-yl 2-ethyl-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3319524

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 4697887) is ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1sccc1C.
What is the InChIKey of ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is OOQBNFBUCCZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-5-11-15(20)19-13(14-9(3)7-8-23-14)12(16(21)22-6-2)10(4)18-17(19)24-11/h7-8,11,13H,5-6H2,1-4H3.
What are the key properties of ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-7-methyl-5-(3-methylthiophen-2-yl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 4697887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).