3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one

C15H17Cl2NOS — CID 5011007

IUPAC3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Cl)c2Cl)N1C1CCCCC1
InChIInChI=1S/C15H17Cl2NOS/c16-12-8-4-7-11(14(12)17)15-18(13(19)9-20-15)10-5-2-1-3-6-10/h4,7-8,10,15H,1-3,5-6,9H2
InChIKeyLWHCGMNAHOBEJN-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.90
Rot. Bonds2

About 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one

3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 5011007) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one
PubChem CID5011007
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Cl)c2Cl)N1C1CCCCC1
InChIInChI=1S/C15H17Cl2NOS/c16-12-8-4-7-11(14(12)17)15-18(13(19)9-20-15)10-5-2-1-3-6-10/h4,7-8,10,15H,1-3,5-6,9H2
InChIKeyLWHCGMNAHOBEJN-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Thiazolidinone, 2-(4-chlorophenyl)-3-cyclohexyl-
CID 3272082
2-(3-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2860026
4-[(3,4-Dichlorophenyl)methyl]thiomorpholine-3,5-dione
CID 1478962
2-{[(2-Chlorophenyl)methyl]sulfanyl}-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3567689
4-Thiazolidinone, 3,3'-ethylenebis(2-(o-chlorophenyl)-, meso-
CID 3066275
3,3'-(Ethane-1,2-diyl)bis(2-(3-chlorophenyl)-1,3-thiazolidin-4-onato)
CID 3066276
2-(3-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2860025
2-(4-Chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861270
2-(2,3-Dichlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 3284769
2-(2,3-Dichlorophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 3349572
(2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 10673576
2-(3,4-Dichlorophenyl)-3-[2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 44327061

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one (CID 5011007) is 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Cl)c2Cl)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is LWHCGMNAHOBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c16-12-8-4-7-11(14(12)17)15-18(13(19)9-20-15)10-5-2-1-3-6-10/h4,7-8,10,15H,1-3,5-6,9H2.
What are the key properties of 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one?
3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 330.28 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5011007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).