ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate

C26H22Cl2N4O5S — CID 1426159

IUPACethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
SMILESCCCc1cc(=O)n2c(C(=O)Nc3cccc(C(=O)OCC)c3)c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2n1
InChIInChI=1S/C26H22Cl2N4O5S/c1-3-6-17-13-20(33)32-21(23(34)29-18-8-5-7-14(9-18)25(36)37-4-2)22(38-26(32)31-17)24(35)30-19-11-15(27)10-16(28)12-19/h5,7-13H,3-4,6H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyONYCGUMAHRKPJO-UHFFFAOYSA-N
MW573.46 g/mol
LogP5.70
Rot. Bonds8

About ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate

ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate (PubChem CID 1426159) has the molecular formula C26H22Cl2N4O5S and a molecular weight of 573.46 g/mol. Its IUPAC name is ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
PubChem CID1426159
Molecular FormulaC26H22Cl2N4O5S
Molecular Weight573.46 g/mol
Exact Mass572.07
IUPAC Nameethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
SMILESCCCc1cc(=O)n2c(C(=O)Nc3cccc(C(=O)OCC)c3)c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2n1
InChIInChI=1S/C26H22Cl2N4O5S/c1-3-6-17-13-20(33)32-21(23(34)29-18-8-5-7-14(9-18)25(36)37-4-2)22(38-26(32)31-17)24(35)30-19-11-15(27)10-16(28)12-19/h5,7-13H,3-4,6H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyONYCGUMAHRKPJO-UHFFFAOYSA-N
XLogP5.70
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.46
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate 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

methyl 4-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 1426173
propyl 4-[[5-oxo-2-(phenylcarbamoyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 2240079
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
3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426133
2-N-(4-chlorophenyl)-7-methyl-3-N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 2241925
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2-chlorobenzoyl)amino]benzoate
CID 46343207
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
ethyl 2-(butanoylamino)-5-[(3-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061989
ethyl 3-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136684956
ethyl 3-(3-chloroanilino)benzoate
CID 82535753

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate (CID 1426159) is ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate is CCCc1cc(=O)n2c(C(=O)Nc3cccc(C(=O)OCC)c3)c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2n1.
What is the InChIKey of ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate?
The InChIKey is ONYCGUMAHRKPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O5S/c1-3-6-17-13-20(33)32-21(23(34)29-18-8-5-7-14(9-18)25(36)37-4-2)22(38-26(32)31-17)24(35)30-19-11-15(27)10-16(28)12-19/h5,7-13H,3-4,6H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate?
ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate has a molecular weight of 573.46 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[(3,5-dichlorophenyl)carbamoyl]-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 1426159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).