(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one

C13H11ClN2O2S — CID 27879726

IUPAC(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)no1
InChIInChI=1S/C13H11ClN2O2S/c1-8-5-11(15-18-8)16-12(17)7-19-13(16)9-3-2-4-10(14)6-9/h2-6,13H,7H2,1H3/t13-/m1/s1
InChIKeyBTKZZIAISHYLRP-CYBMUJFWSA-N
MW294.76 g/mol
LogP3.42
Rot. Bonds2

About (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one

(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one (PubChem CID 27879726) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one
PubChem CID27879726
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one
SMILESCc1cc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)no1
InChIInChI=1S/C13H11ClN2O2S/c1-8-5-11(15-18-8)16-12(17)7-19-13(16)9-3-2-4-10(14)6-9/h2-6,13H,7H2,1H3/t13-/m1/s1
InChIKeyBTKZZIAISHYLRP-CYBMUJFWSA-N
XLogP3.42
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(3-chlorobenzyl)-N2-(5-methylisoxazol-3-yl)ethanediamide
CID 2805636
3-[5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-3-isoxazolyl)propanamide
CID 1636484
3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 1636485
2-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24819925
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 16291737
2-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979010
2-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24982274
2-[2-[(2,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24982789
4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1566205
2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4787813
1-[(3-Chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-YL)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 7599144
2-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24819913

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one (CID 27879726) is (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one is Cc1cc(N2C(=O)CS[C@@H]2c2cccc(Cl)c2)no1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is BTKZZIAISHYLRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-8-5-11(15-18-8)16-12(17)7-19-13(16)9-3-2-4-10(14)6-9/h2-6,13H,7H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one?
(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 294.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 27879726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).