1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone

C17H13Cl2F2NOS — CID 122331063

IUPAC1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F2NOS/c18-11-2-4-13(14(19)8-11)17-22(5-6-24-17)16(23)7-10-1-3-12(20)9-15(10)21/h1-4,8-9,17H,5-7H2
InChIKeyCDQYLJLHOAPACQ-UHFFFAOYSA-N
MW388.27 g/mol
LogP5.09
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone

1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone (PubChem CID 122331063) has the molecular formula C17H13Cl2F2NOS and a molecular weight of 388.27 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
PubChem CID122331063
Molecular FormulaC17H13Cl2F2NOS
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2F2NOS/c18-11-2-4-13(14(19)8-11)17-22(5-6-24-17)16(23)7-10-1-3-12(20)9-15(10)21/h1-4,8-9,17H,5-7H2
InChIKeyCDQYLJLHOAPACQ-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone (CID 122331063) is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone is O=C(Cc1ccc(F)cc1F)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone?
The InChIKey is CDQYLJLHOAPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2NOS/c18-11-2-4-13(14(19)8-11)17-22(5-6-24-17)16(23)7-10-1-3-12(20)9-15(10)21/h1-4,8-9,17H,5-7H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone?
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone has a molecular weight of 388.27 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 122331063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).