3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

C23H20N4O3S — CID 1426224

IUPAC3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1
InChIInChI=1S/C23H20N4O3S/c1-3-15-9-11-17(12-10-15)25-21(29)19-20(22(30)26-16-7-5-4-6-8-16)31-23-24-14(2)13-18(28)27(19)23/h4-13H,3H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNYMCYMSJDSLVER-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.13
Rot. Bonds5

About 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (PubChem CID 1426224) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
PubChem CID1426224
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1
InChIInChI=1S/C23H20N4O3S/c1-3-15-9-11-17(12-10-15)25-21(29)19-20(22(30)26-16-7-5-4-6-8-16)31-23-24-14(2)13-18(28)27(19)23/h4-13H,3H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyNYMCYMSJDSLVER-UHFFFAOYSA-N
XLogP4.13
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The IUPAC name of 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (CID 1426224) is 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is CCc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1.
What is the InChIKey of 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The InChIKey is NYMCYMSJDSLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-3-15-9-11-17(12-10-15)25-21(29)19-20(22(30)26-16-7-5-4-6-8-16)31-23-24-14(2)13-18(28)27(19)23/h4-13H,3H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylphenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is sourced from PubChem (CID 1426224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).