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

C17H17NOS — CID 2840533

IUPAC2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NOS/c1-12-3-7-14(8-4-12)17-18(16(19)11-20-17)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyNOIRAQMBLBMBCE-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.08
Rot. Bonds2

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

2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 2840533) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID2840533
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NOS/c1-12-3-7-14(8-4-12)17-18(16(19)11-20-17)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3
InChIKeyNOIRAQMBLBMBCE-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
2-(4-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4023489
1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
3-p-Tolylrhodanine
CID 99568
Tetrahydrothiophene fentanyl
CID 137700508
8-Ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 703600
N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]acetamide
CID 883059
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one (CID 2840533) is 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NOIRAQMBLBMBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12-3-7-14(8-4-12)17-18(16(19)11-20-17)15-9-5-13(2)6-10-15/h3-10,17H,11H2,1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one?
2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 283.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2840533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).