3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one

C18H12Cl2N2OS2 — CID 3785750

IUPAC3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C18H12Cl2N2OS2/c19-12-6-7-13(14(20)8-12)15-9-25-18(21-15)22-16(23)10-24-17(22)11-4-2-1-3-5-11/h1-9,17H,10H2
InChIKeyVIMGAGWGFWKMRY-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.90
Rot. Bonds3

About 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one

3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 3785750) has the molecular formula C18H12Cl2N2OS2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID3785750
Molecular FormulaC18H12Cl2N2OS2
Molecular Weight407.35 g/mol
Exact Mass405.98
IUPAC Name3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C18H12Cl2N2OS2/c19-12-6-7-13(14(20)8-12)15-9-25-18(21-15)22-16(23)10-24-17(22)11-4-2-1-3-5-11/h1-9,17H,10H2
InChIKeyVIMGAGWGFWKMRY-UHFFFAOYSA-N
XLogP5.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Dichlorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3024635
3-(6-Fluorobenzo[d]thiazol-2-yl)-2-(2,6-dichlorophenyl)thiazolidin-4-one (9)
CID 71521915
4-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 626588
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-N-methyl-acetamide
CID 650025
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-N-methylbenzamide
CID 73670026
4-[4-(2,4-Dichlorophenyl)-1,3-thiazol-2-yl]morpholine
CID 802764
2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(prop-2-en-1-yl)acetamide
CID 9291140
1-{4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-2-thiophen-2-yl-ethanone
CID 653665
4-(2,4-Dichlorophenyl)-2-[(4-acetamidophenyl)amino]-3-(prop-2-EN-1-YL)-1,3-thiazol-3-ium chloride
CID 16196128
2-(2-Chloro-6-fluoro-phenyl)-3-(4,5-dimethylthiazol-2-yl)thiazolidin-4-one
CID 16721069
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 155554862
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-piperidinoacetamide
CID 334415

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (CID 3785750) is 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is VIMGAGWGFWKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2OS2/c19-12-6-7-13(14(20)8-12)15-9-25-18(21-15)22-16(23)10-24-17(22)11-4-2-1-3-5-11/h1-9,17H,10H2.
What are the key properties of 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 407.35 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3785750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).