[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone

C16H13Cl2NOS — CID 7396529

IUPAC[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NOS/c17-12-6-7-13(14(18)10-12)16-19(8-9-21-16)15(20)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2/t16-/m1/s1
InChIKeyGGJVRPVWWMMRSK-MRXNPFEDSA-N
MW338.26 g/mol
LogP4.88
Rot. Bonds2

About [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone

[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone (PubChem CID 7396529) has the molecular formula C16H13Cl2NOS and a molecular weight of 338.26 g/mol. Its IUPAC name is [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
PubChem CID7396529
Molecular FormulaC16H13Cl2NOS
Molecular Weight338.26 g/mol
Exact Mass337.01
IUPAC Name[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NOS/c17-12-6-7-13(14(18)10-12)16-19(8-9-21-16)15(20)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2/t16-/m1/s1
InChIKeyGGJVRPVWWMMRSK-MRXNPFEDSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 5226624
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122329357
cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7264912
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The IUPAC name of [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone (CID 7396529) is [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone is O=C(c1ccccc1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The InChIKey is GGJVRPVWWMMRSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13Cl2NOS/c17-12-6-7-13(14(18)10-12)16-19(8-9-21-16)15(20)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2/t16-/m1/s1.
What are the key properties of [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone?
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone has a molecular weight of 338.26 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 7396529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).