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

C16H19Cl2NOS — CID 7264912

IUPACcyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CCCCC1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NOS/c17-12-6-7-13(14(18)10-12)16-19(8-9-21-16)15(20)11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2/t16-/m1/s1
InChIKeyUGPLAIVYBUSZLE-MRXNPFEDSA-N
MW344.31 g/mol
LogP5.15
Rot. Bonds2

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

cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 7264912) has the molecular formula C16H19Cl2NOS and a molecular weight of 344.31 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID7264912
Molecular FormulaC16H19Cl2NOS
Molecular Weight344.31 g/mol
Exact Mass343.06
IUPAC Namecyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CCCCC1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2NOS/c17-12-6-7-13(14(18)10-12)16-19(8-9-21-16)15(20)11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2/t16-/m1/s1
InChIKeyUGPLAIVYBUSZLE-MRXNPFEDSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
CID 122331065
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 3381826
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethylphenyl)methanone
CID 122330981
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122330998
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 4601348
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
CID 122331063
2-(2,4-dichlorophenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 3462606
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4062611

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone (CID 7264912) is cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone is O=C(C1CCCCC1)N1CCS[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is UGPLAIVYBUSZLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19Cl2NOS/c17-12-6-7-13(14(18)10-12)16-19(8-9-21-16)15(20)11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2/t16-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone?
cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 344.31 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7264912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).