3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

C19H23NO5S2 — CID 3129093

IUPAC3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C19H23NO5S2/c1-13-6-5-7-14(10-13)27(21,22)20-8-9-26-19(20)15-11-17(24-3)18(25-4)12-16(15)23-2/h5-7,10-12,19H,8-9H2,1-4H3
InChIKeyANTVIGMAZNVPEH-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.46
Rot. Bonds6

About 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 3129093) has the molecular formula C19H23NO5S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID3129093
Molecular FormulaC19H23NO5S2
Molecular Weight409.53 g/mol
Exact Mass409.10
IUPAC Name3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C19H23NO5S2/c1-13-6-5-7-14(10-13)27(21,22)20-8-9-26-19(20)15-11-17(24-3)18(25-4)12-16(15)23-2/h5-7,10-12,19H,8-9H2,1-4H3
InChIKeyANTVIGMAZNVPEH-UHFFFAOYSA-N
XLogP3.46
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 3129093) is 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C)c2)cc1OC.
What is the InChIKey of 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is ANTVIGMAZNVPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S2/c1-13-6-5-7-14(10-13)27(21,22)20-8-9-26-19(20)15-11-17(24-3)18(25-4)12-16(15)23-2/h5-7,10-12,19H,8-9H2,1-4H3.
What are the key properties of 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 409.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3129093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).