1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

C19H19Cl2NOS — CID 5226624

IUPAC1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCSC1c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NOS/c1-2-15(13-6-4-3-5-7-13)18(23)22-10-11-24-19(22)16-9-8-14(20)12-17(16)21/h3-9,12,15,19H,2,10-11H2,1H3
InChIKeyCSMASRBZAWLPFG-UHFFFAOYSA-N
MW380.34 g/mol
LogP5.76
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (PubChem CID 5226624) has the molecular formula C19H19Cl2NOS and a molecular weight of 380.34 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
PubChem CID5226624
Molecular FormulaC19H19Cl2NOS
Molecular Weight380.34 g/mol
Exact Mass379.06
IUPAC Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCSC1c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NOS/c1-2-15(13-6-4-3-5-7-13)18(23)22-10-11-24-19(22)16-9-8-14(20)12-17(16)21/h3-9,12,15,19H,2,10-11H2,1H3
InChIKeyCSMASRBZAWLPFG-UHFFFAOYSA-N
XLogP5.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.34
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (CID 5226624) is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCSC1c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The InChIKey is CSMASRBZAWLPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NOS/c1-2-15(13-6-4-3-5-7-13)18(23)22-10-11-24-19(22)16-9-8-14(20)12-17(16)21/h3-9,12,15,19H,2,10-11H2,1H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one has a molecular weight of 380.34 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 5226624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).