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

C11H12ClN3O3S2 — CID 63792673

IUPAC3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCSc1ncc(Cl)c(C(=O)N2C(C)SCC2C(=O)O)n1
InChIInChI=1S/C11H12ClN3O3S2/c1-5-15(7(4-20-5)10(17)18)9(16)8-6(12)3-13-11(14-8)19-2/h3,5,7H,4H2,1-2H3,(H,17,18)
InChIKeyAYCURAJKJIZBGQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.84
Rot. Bonds3

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

3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792673) has the molecular formula C11H12ClN3O3S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792673
Molecular FormulaC11H12ClN3O3S2
Molecular Weight333.82 g/mol
Exact Mass333.00
IUPAC Name3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCSc1ncc(Cl)c(C(=O)N2C(C)SCC2C(=O)O)n1
InChIInChI=1S/C11H12ClN3O3S2/c1-5-15(7(4-20-5)10(17)18)9(16)8-6(12)3-13-11(14-8)19-2/h3,5,7H,4H2,1-2H3,(H,17,18)
InChIKeyAYCURAJKJIZBGQ-UHFFFAOYSA-N
XLogP1.84
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790565
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79409987
3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791784
3-(2,4-dichlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791942
4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-2-one
CID 30887321
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-(4-chloro-2-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791065
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 6463586
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812660
(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 31988319
3-(3,5-difluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793201

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63792673) is 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CSc1ncc(Cl)c(C(=O)N2C(C)SCC2C(=O)O)n1.
What is the InChIKey of 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AYCURAJKJIZBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S2/c1-5-15(7(4-20-5)10(17)18)9(16)8-6(12)3-13-11(14-8)19-2/h3,5,7H,4H2,1-2H3,(H,17,18).
What are the key properties of 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 333.82 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).