3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one

C17H17NOS — CID 174527586

IUPAC3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one
SMILESCc1ccc(C2C(c3ccccc3)SC(=O)N2C)cc1
InChIInChI=1S/C17H17NOS/c1-12-8-10-13(11-9-12)15-16(20-17(19)18(15)2)14-6-4-3-5-7-14/h3-11,15-16H,1-2H3
InChIKeyKIBHYUGMVLRUME-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.58
Rot. Bonds2

About 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one

3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one (PubChem CID 174527586) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one
PubChem CID174527586
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one
SMILESCc1ccc(C2C(c3ccccc3)SC(=O)N2C)cc1
InChIInChI=1S/C17H17NOS/c1-12-8-10-13(11-9-12)15-16(20-17(19)18(15)2)14-6-4-3-5-7-14/h3-11,15-16H,1-2H3
InChIKeyKIBHYUGMVLRUME-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one (CID 174527586) is 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one is Cc1ccc(C2C(c3ccccc3)SC(=O)N2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one?
The InChIKey is KIBHYUGMVLRUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12-8-10-13(11-9-12)15-16(20-17(19)18(15)2)14-6-4-3-5-7-14/h3-11,15-16H,1-2H3.
What are the key properties of 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one?
3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one has a molecular weight of 283.40 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 174527586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).