5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

C14H18N2OS — CID 135989331

IUPAC5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\NC(=O)C(C)(C(C)C)S1
InChIInChI=1S/C14H18N2OS/c1-9(2)14(4)12(17)16-13(18-14)15-11-8-6-5-7-10(11)3/h5-9H,1-4H3,(H,15,16,17)
InChIKeyFPHDZWAMTFQGOY-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.26
Rot. Bonds2

About 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989331) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989331
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1\NC(=O)C(C)(C(C)C)S1
InChIInChI=1S/C14H18N2OS/c1-9(2)14(4)12(17)16-13(18-14)15-11-8-6-5-7-10(11)3/h5-9H,1-4H3,(H,15,16,17)
InChIKeyFPHDZWAMTFQGOY-UHFFFAOYSA-N
XLogP3.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989331) is 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1\NC(=O)C(C)(C(C)C)S1.
What is the InChIKey of 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is FPHDZWAMTFQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(2)14(4)12(17)16-13(18-14)15-11-8-6-5-7-10(11)3/h5-9H,1-4H3,(H,15,16,17).
What are the key properties of 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).