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

C14H15Cl2NO2S — CID 122331065

IUPAC[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c15-10-1-2-11(12(16)7-10)14-17(4-6-20-14)13(18)9-3-5-19-8-9/h1-2,7,9,14H,3-6,8H2
InChIKeyUWMGWNIWEBTVIV-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.60
Rot. Bonds2

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

[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone (PubChem CID 122331065) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
PubChem CID122331065
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO2S/c15-10-1-2-11(12(16)7-10)14-17(4-6-20-14)13(18)9-3-5-19-8-9/h1-2,7,9,14H,3-6,8H2
InChIKeyUWMGWNIWEBTVIV-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone (CID 122331065) is [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
The InChIKey is UWMGWNIWEBTVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S/c15-10-1-2-11(12(16)7-10)14-17(4-6-20-14)13(18)9-3-5-19-8-9/h1-2,7,9,14H,3-6,8H2.
What are the key properties of [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone has a molecular weight of 332.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 122331065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).