2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one

C15H20N2O2S — CID 178018157

IUPAC2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C)ccc1COCC(C)C
InChIInChI=1S/C15H20N2O2S/c1-10(2)7-19-8-12-5-4-11(3)6-13(12)17-14(18)9-20-15(17)16/h4-6,10,16H,7-9H2,1-3H3/b16-15-
InChIKeySSZYSUGCYBJCPZ-NXVVXOECSA-N
MW292.40 g/mol
LogP3.18
Rot. Bonds5

About 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one

2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 178018157) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID178018157
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C)ccc1COCC(C)C
InChIInChI=1S/C15H20N2O2S/c1-10(2)7-19-8-12-5-4-11(3)6-13(12)17-14(18)9-20-15(17)16/h4-6,10,16H,7-9H2,1-3H3/b16-15-
InChIKeySSZYSUGCYBJCPZ-NXVVXOECSA-N
XLogP3.18
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one (CID 178018157) is 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cc(C)ccc1COCC(C)C.
What is the InChIKey of 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is SSZYSUGCYBJCPZ-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)7-19-8-12-5-4-11(3)6-13(12)17-14(18)9-20-15(17)16/h4-6,10,16H,7-9H2,1-3H3/b16-15-.
What are the key properties of 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one?
2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 292.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[5-methyl-2-(2-methylpropoxymethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 178018157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).