2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H9Cl3N2O3S — CID 63790565

IUPAC2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H9Cl3N2O3S/c1-4-16(6(3-20-4)11(18)19)10(17)9-8(14)7(13)5(12)2-15-9/h2,4,6H,3H2,1H3,(H,18,19)
InChIKeyISVBINPUKKXMNR-UHFFFAOYSA-N
MW355.63 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790565) has the molecular formula C11H9Cl3N2O3S and a molecular weight of 355.63 g/mol. Its IUPAC name is 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790565
Molecular FormulaC11H9Cl3N2O3S
Molecular Weight355.63 g/mol
Exact Mass353.94
IUPAC Name2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H9Cl3N2O3S/c1-4-16(6(3-20-4)11(18)19)10(17)9-8(14)7(13)5(12)2-15-9/h2,4,6H,3H2,1H3,(H,18,19)
InChIKeyISVBINPUKKXMNR-UHFFFAOYSA-N
XLogP3.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792673
3-(2,4-dichlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791942
2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104669661
2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791944
3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791784
3-(2-chloro-4-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106860578
3-(3-chloro-4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103219146
3-(4-bromo-3-chlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 81290888
3-(4-chloro-2-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791065
3-(3,5-difluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793201
3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793205
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63790565) is 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ISVBINPUKKXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O3S/c1-4-16(6(3-20-4)11(18)19)10(17)9-8(14)7(13)5(12)2-15-9/h2,4,6H,3H2,1H3,(H,18,19).
What are the key properties of 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 355.63 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).