3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one

C15H8Cl2F2N2OS — CID 2730001

IUPAC3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(F)c(Cl)c2)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H8Cl2F2N2OS/c16-10-5-8(1-3-12(10)18)20-15-21(14(22)7-23-15)9-2-4-13(19)11(17)6-9/h1-6H,7H2/b20-15-
InChIKeyIBHNYCJKBAAMNL-HKWRFOASSA-N
MW373.21 g/mol
LogP5.04
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one

3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 2730001) has the molecular formula C15H8Cl2F2N2OS and a molecular weight of 373.21 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID2730001
Molecular FormulaC15H8Cl2F2N2OS
Molecular Weight373.21 g/mol
Exact Mass371.97
IUPAC Name3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(F)c(Cl)c2)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H8Cl2F2N2OS/c16-10-5-8(1-3-12(10)18)20-15-21(14(22)7-23-15)9-2-4-13(19)11(17)6-9/h1-6H,7H2/b20-15-
InChIKeyIBHNYCJKBAAMNL-HKWRFOASSA-N
XLogP5.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.21
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431156
N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 973107
3-(3-Chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1241599
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 135407474
3-(2-Fluorophenyl)-2-((2-fluorophenyl)imino)-1,3-thiazolidin-4-one
CID 331170
2-{[6-Amino-1-(3-chlorophenyl)-4-oxo-1,4-dihydropyrimidin-2-YL]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 17087921
3-(3-chlorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1241428
2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-N-(3-chloro-phenyl)-acetamide
CID 135416141
N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135411657
N-(3-chloro-4-fluorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
CID 135403812
N-(3-chlorophenyl)-2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2052866
3-(3-Chloro-4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 2726584

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 2730001) is 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(F)c(Cl)c2)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is IBHNYCJKBAAMNL-HKWRFOASSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2OS/c16-10-5-8(1-3-12(10)18)20-15-21(14(22)7-23-15)9-2-4-13(19)11(17)6-9/h1-6H,7H2/b20-15-.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one?
3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 373.21 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2730001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).