[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone

C16H12Cl3NOS — CID 7438620

IUPAC[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H12Cl3NOS/c17-11-3-1-2-10(8-11)16-20(6-7-22-16)15(21)13-5-4-12(18)9-14(13)19/h1-5,8-9,16H,6-7H2/t16-/m0/s1
InChIKeyRIYYRUQSOFLJDZ-INIZCTEOSA-N
MW372.70 g/mol
LogP5.53
Rot. Bonds2

About [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone

[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 7438620) has the molecular formula C16H12Cl3NOS and a molecular weight of 372.70 g/mol. Its IUPAC name is [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
PubChem CID7438620
Molecular FormulaC16H12Cl3NOS
Molecular Weight372.70 g/mol
Exact Mass370.97
IUPAC Name[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H12Cl3NOS/c17-11-3-1-2-10(8-11)16-20(6-7-22-16)15(21)13-5-4-12(18)9-14(13)19/h1-5,8-9,16H,6-7H2/t16-/m0/s1
InChIKeyRIYYRUQSOFLJDZ-INIZCTEOSA-N
XLogP5.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7231458
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7326995
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182
3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
CID 1206009
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
(2-chlorophenyl)-[(2R)-2-pyridin-3-yl-1,3-thiazolidin-3-yl]methanone
CID 815814

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone (CID 7438620) is [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCS[C@H]1c1cccc(Cl)c1.
What is the InChIKey of [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is RIYYRUQSOFLJDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12Cl3NOS/c17-11-3-1-2-10(8-11)16-20(6-7-22-16)15(21)13-5-4-12(18)9-14(13)19/h1-5,8-9,16H,6-7H2/t16-/m0/s1.
What are the key properties of [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone?
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 372.70 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 7438620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).