3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one

C18H15Cl3FNOS — CID 122331128

IUPAC3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCc1ccc(F)c(Cl)c1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl3FNOS/c19-12-3-4-13(14(20)10-12)18-23(7-8-25-18)17(24)6-2-11-1-5-16(22)15(21)9-11/h1,3-5,9-10,18H,2,6-8H2
InChIKeyKGUMOBUERXXKJD-UHFFFAOYSA-N
MW418.75 g/mol
LogP5.99
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one

3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 122331128) has the molecular formula C18H15Cl3FNOS and a molecular weight of 418.75 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID122331128
Molecular FormulaC18H15Cl3FNOS
Molecular Weight418.75 g/mol
Exact Mass416.99
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C(CCc1ccc(F)c(Cl)c1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl3FNOS/c19-12-3-4-13(14(20)10-12)18-23(7-8-25-18)17(24)6-2-11-1-5-16(22)15(21)9-11/h1,3-5,9-10,18H,2,6-8H2
InChIKeyKGUMOBUERXXKJD-UHFFFAOYSA-N
XLogP5.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.75
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331472
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
CID 122331063
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122331088
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
CID 122331065
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 122331128) is 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one is O=C(CCc1ccc(F)c(Cl)c1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is KGUMOBUERXXKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3FNOS/c19-12-3-4-13(14(20)10-12)18-23(7-8-25-18)17(24)6-2-11-1-5-16(22)15(21)9-11/h1,3-5,9-10,18H,2,6-8H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 418.75 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 122331128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).