2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

C17H17NOS3 — CID 134130308

IUPAC2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H17NOS3/c1-20-14-7-3-12(4-8-14)17-18(16(19)11-22-17)13-5-9-15(21-2)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyJONWYOPTQSTZHH-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.91
Rot. Bonds4

About 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one

2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 134130308) has the molecular formula C17H17NOS3 and a molecular weight of 347.53 g/mol. Its IUPAC name is 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID134130308
Molecular FormulaC17H17NOS3
Molecular Weight347.53 g/mol
Exact Mass347.05
IUPAC Name2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H17NOS3/c1-20-14-7-3-12(4-8-14)17-18(16(19)11-22-17)13-5-9-15(21-2)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyJONWYOPTQSTZHH-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 134130308) is 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2c2ccc(SC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JONWYOPTQSTZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS3/c1-20-14-7-3-12(4-8-14)17-18(16(19)11-22-17)13-5-9-15(21-2)10-6-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 347.53 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134130308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).