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

C26H26N4O3S — CID 1426101

IUPAC2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCCCc1cc(=O)n2c(C(=O)Nc3cccc(C)c3)c(C(=O)Nc3cccc(C)c3C)sc2n1
InChIInChI=1S/C26H26N4O3S/c1-5-8-18-14-21(31)30-22(24(32)27-19-11-6-9-15(2)13-19)23(34-26(30)28-18)25(33)29-20-12-7-10-16(3)17(20)4/h6-7,9-14H,5,8H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyAZWZYQUXMHTSMI-UHFFFAOYSA-N
MW474.59 g/mol
LogP5.14
Rot. Bonds6

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

2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (PubChem CID 1426101) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
PubChem CID1426101
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCCCc1cc(=O)n2c(C(=O)Nc3cccc(C)c3)c(C(=O)Nc3cccc(C)c3C)sc2n1
InChIInChI=1S/C26H26N4O3S/c1-5-8-18-14-21(31)30-22(24(32)27-19-11-6-9-15(2)13-19)23(34-26(30)28-18)25(33)29-20-12-7-10-16(3)17(20)4/h6-7,9-14H,5,8H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyAZWZYQUXMHTSMI-UHFFFAOYSA-N
XLogP5.14
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-[[5-oxo-2-(phenylcarbamoyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 2240079
ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426159
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
2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 2241925
methyl 4-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426173
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
3-N-(4-bromophenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426218
N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 135528106
4-ethyl-N-(3-methylphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134299
N-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The IUPAC name of 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) is 2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is CCCc1cc(=O)n2c(C(=O)Nc3cccc(C)c3)c(C(=O)Nc3cccc(C)c3C)sc2n1.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The InChIKey is AZWZYQUXMHTSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-5-8-18-14-21(31)30-22(24(32)27-19-11-6-9-15(2)13-19)23(34-26(30)28-18)25(33)29-20-12-7-10-16(3)17(20)4/h6-7,9-14H,5,8H2,1-4H3,(H,27,32)(H,29,33).
What are the key properties of 2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide has a molecular weight of 474.59 g/mol, XLogP of 5.14, 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)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is sourced from PubChem (CID 1426101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).