2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine

C12H11Cl2N3O2S2 — CID 122331138

IUPAC2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2S2/c13-8-1-2-9(10(14)5-8)12-17(3-4-20-12)21(18,19)11-6-15-7-16-11/h1-2,5-7,12H,3-4H2,(H,15,16)
InChIKeyUIWCIYAQNQJSAQ-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.15
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine

2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine (PubChem CID 122331138) has the molecular formula C12H11Cl2N3O2S2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine
PubChem CID122331138
Molecular FormulaC12H11Cl2N3O2S2
Molecular Weight364.28 g/mol
Exact Mass362.97
IUPAC Name2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine
SMILESO=S(=O)(c1cnc[nH]1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2S2/c13-8-1-2-9(10(14)5-8)12-17(3-4-20-12)21(18,19)11-6-15-7-16-11/h1-2,5-7,12H,3-4H2,(H,15,16)
InChIKeyUIWCIYAQNQJSAQ-UHFFFAOYSA-N
XLogP3.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine (CID 122331138) is 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine is O=S(=O)(c1cnc[nH]1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine?
The InChIKey is UIWCIYAQNQJSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S2/c13-8-1-2-9(10(14)5-8)12-17(3-4-20-12)21(18,19)11-6-15-7-16-11/h1-2,5-7,12H,3-4H2,(H,15,16).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine?
2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine has a molecular weight of 364.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(1H-imidazol-5-ylsulfonyl)-1,3-thiazolidine is sourced from PubChem (CID 122331138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).