2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

C25H24N4O3S — CID 1426198

IUPAC2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCc1cc(=O)n2c(C(=O)NCCc3ccccc3)c(C(=O)Nc3cccc(C)c3C)sc2n1
InChIInChI=1S/C25H24N4O3S/c1-15-8-7-11-19(17(15)3)28-24(32)22-21(29-20(30)14-16(2)27-25(29)33-22)23(31)26-13-12-18-9-5-4-6-10-18/h4-11,14H,12-13H2,1-3H3,(H,26,31)(H,28,32)
InChIKeyKIISVFFJPLNWGJ-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.91
Rot. Bonds6

About 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (PubChem CID 1426198) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
PubChem CID1426198
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCc1cc(=O)n2c(C(=O)NCCc3ccccc3)c(C(=O)Nc3cccc(C)c3C)sc2n1
InChIInChI=1S/C25H24N4O3S/c1-15-8-7-11-19(17(15)3)28-24(32)22-21(29-20(30)14-16(2)27-25(29)33-22)23(31)26-13-12-18-9-5-4-6-10-18/h4-11,14H,12-13H2,1-3H3,(H,26,31)(H,28,32)
InChIKeyKIISVFFJPLNWGJ-UHFFFAOYSA-N
XLogP3.91
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426101
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2973801
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597
2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78775254
6-N-(3-chloro-2-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098456
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-(2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46263568
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (CID 1426198) is 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is Cc1cc(=O)n2c(C(=O)NCCc3ccccc3)c(C(=O)Nc3cccc(C)c3C)sc2n1.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The InChIKey is KIISVFFJPLNWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-15-8-7-11-19(17(15)3)28-24(32)22-21(29-20(30)14-16(2)27-25(29)33-22)23(31)26-13-12-18-9-5-4-6-10-18/h4-11,14H,12-13H2,1-3H3,(H,26,31)(H,28,32).
What are the key properties of 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide has a molecular weight of 460.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-7-methyl-5-oxo-3-N-(2-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is sourced from PubChem (CID 1426198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).