(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one

C10H9Cl2NOS — CID 723855

IUPAC(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@@H](c2ccc(Cl)c(Cl)c2)NC1=O
InChIInChI=1S/C10H9Cl2NOS/c1-5-9(14)13-10(15-5)6-2-3-7(11)8(12)4-6/h2-5,10H,1H3,(H,13,14)/t5-,10+/m1/s1
InChIKeyJVILGLBJGZEDME-FWOIEVBISA-N
MW262.16 g/mol
LogP3.24
Rot. Bonds1

About (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one

(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 723855) has the molecular formula C10H9Cl2NOS and a molecular weight of 262.16 g/mol. Its IUPAC name is (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID723855
Molecular FormulaC10H9Cl2NOS
Molecular Weight262.16 g/mol
Exact Mass260.98
IUPAC Name(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@@H](c2ccc(Cl)c(Cl)c2)NC1=O
InChIInChI=1S/C10H9Cl2NOS/c1-5-9(14)13-10(15-5)6-2-3-7(11)8(12)4-6/h2-5,10H,1H3,(H,13,14)/t5-,10+/m1/s1
InChIKeyJVILGLBJGZEDME-FWOIEVBISA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 599109
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CID 70160982
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
(7R)-7-(3,4-dichlorophenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
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4-(3,4-dichlorophenyl)-5-pyridin-4-ylpyrazolidin-3-one
CID 22277994
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
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3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814715
(2S,7R)-2-(3,4-dichlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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3-(3,4-dichlorophenyl)-5-methylthiomorpholine
CID 66219407
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CID 171184906
2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
CID 71423757
(4R)-5-(3,4-dichlorophenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one (CID 723855) is (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one is C[C@H]1S[C@@H](c2ccc(Cl)c(Cl)c2)NC1=O.
What is the InChIKey of (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is JVILGLBJGZEDME-FWOIEVBISA-N. The full InChI is InChI=1S/C10H9Cl2NOS/c1-5-9(14)13-10(15-5)6-2-3-7(11)8(12)4-6/h2-5,10H,1H3,(H,13,14)/t5-,10+/m1/s1.
What are the key properties of (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
(2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 262.16 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 723855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).