(2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one

C19H12Cl4N2OS2 — CID 40877130

IUPAC(2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@@H](c2ccc(Cl)cc2Cl)N(c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O
InChIInChI=1S/C19H12Cl4N2OS2/c1-9-17(26)25(18(28-9)13-5-3-11(21)7-15(13)23)19-24-16(8-27-19)12-4-2-10(20)6-14(12)22/h2-9,18H,1H3/t9-,18+/m1/s1
InChIKeyGDTGGKZRUXZYDL-LZVRBXCZSA-N
MW490.26 g/mol
LogP7.59
Rot. Bonds3

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

(2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 40877130) has the molecular formula C19H12Cl4N2OS2 and a molecular weight of 490.26 g/mol. Its IUPAC name is (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one
PubChem CID40877130
Molecular FormulaC19H12Cl4N2OS2
Molecular Weight490.26 g/mol
Exact Mass487.91
IUPAC Name(2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@@H](c2ccc(Cl)cc2Cl)N(c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O
InChIInChI=1S/C19H12Cl4N2OS2/c1-9-17(26)25(18(28-9)13-5-3-11(21)7-15(13)23)19-24-16(8-27-19)12-4-2-10(20)6-14(12)22/h2-9,18H,1H3/t9-,18+/m1/s1
InChIKeyGDTGGKZRUXZYDL-LZVRBXCZSA-N
XLogP7.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.26
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-2-(2,4-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one
CID 40793862
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 623279
2-[2-(4-chlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10481188
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 22197983
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole
CID 87466647
N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55130036
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one
CID 2764927
methyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]acetate
CID 15458625
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,6-dimethylcyclohexane-1-carboxylic acid
CID 123524297
5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308919

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one (CID 40877130) is (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one is C[C@H]1S[C@@H](c2ccc(Cl)cc2Cl)N(c2nc(-c3ccc(Cl)cc3Cl)cs2)C1=O.
What is the InChIKey of (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is GDTGGKZRUXZYDL-LZVRBXCZSA-N. The full InChI is InChI=1S/C19H12Cl4N2OS2/c1-9-17(26)25(18(28-9)13-5-3-11(21)7-15(13)23)19-24-16(8-27-19)12-4-2-10(20)6-14(12)22/h2-9,18H,1H3/t9-,18+/m1/s1.
What are the key properties of (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one?
(2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 490.26 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 40877130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).