2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid

C19H20N2O4S — CID 42827052

IUPAC2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
SMILESCCC1=C(C(=O)OC)C(c2ccccc2C)N2C(CC(=O)O)=CSC2=N1
InChIInChI=1S/C19H20N2O4S/c1-4-14-16(18(24)25-3)17(13-8-6-5-7-11(13)2)21-12(9-15(22)23)10-26-19(21)20-14/h5-8,10,17H,4,9H2,1-3H3,(H,22,23)
InChIKeyAUWHAAACOSNOSV-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.61
Rot. Bonds5

About 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid

2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid (PubChem CID 42827052) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
PubChem CID42827052
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
SMILESCCC1=C(C(=O)OC)C(c2ccccc2C)N2C(CC(=O)O)=CSC2=N1
InChIInChI=1S/C19H20N2O4S/c1-4-14-16(18(24)25-3)17(13-8-6-5-7-11(13)2)21-12(9-15(22)23)10-26-19(21)20-14/h5-8,10,17H,4,9H2,1-3H3,(H,22,23)
InChIKeyAUWHAAACOSNOSV-UHFFFAOYSA-N
XLogP3.61
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid with MolForge

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Related Compounds

methyl (5S)-3-[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-7-ethyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98425379
methyl (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-ethyl-5-(2-fluorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98203717
methyl (5R)-5-(2,5-dimethylphenyl)-7-ethyl-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98205757
methyl (5S)-7-ethyl-5-(2-methoxyphenyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98153465
methyl (5S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2-chlorophenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98210200
methyl (5S)-5-(2,4-dimethylphenyl)-7-ethyl-3-[2-oxo-2-(2-phenoxyethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98154707
methyl 3-[2-(cyclohexylamino)-2-oxoethyl]-7-ethyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112020
methyl (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-5-(2,5-dimethylphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98205753
methyl (5R)-5-(2,4-dimethylphenyl)-7-ethyl-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98206406
methyl 7-ethyl-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112053
methyl (5S)-5-(2,4-dimethylphenyl)-7-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98293718
methyl (5R)-3-[2-[benzyl(methyl)amino]-2-oxoethyl]-5-(2,3-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98174958

Frequently Asked Questions

What is the IUPAC name of 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The IUPAC name of 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid (CID 42827052) is 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid.
What is the SMILES notation for 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The canonical SMILES for 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid is CCC1=C(C(=O)OC)C(c2ccccc2C)N2C(CC(=O)O)=CSC2=N1.
What is the InChIKey of 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The InChIKey is AUWHAAACOSNOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-14-16(18(24)25-3)17(13-8-6-5-7-11(13)2)21-12(9-15(22)23)10-26-19(21)20-14/h5-8,10,17H,4,9H2,1-3H3,(H,22,23).
What are the key properties of 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid has a molecular weight of 372.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethyl-6-methoxycarbonyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid is sourced from PubChem (CID 42827052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).