2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one

C13H16N2O2S — CID 154675697

IUPAC2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(OC)ccc1CCC
InChIInChI=1S/C13H16N2O2S/c1-3-4-9-5-6-10(17-2)7-11(9)15-12(16)8-18-13(15)14/h5-7,14H,3-4,8H2,1-2H3/b14-13-
InChIKeyCIBHZXBYCMURCP-YPKPFQOOSA-N
MW264.35 g/mol
LogP2.66
Rot. Bonds4

About 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one

2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one (PubChem CID 154675697) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one
PubChem CID154675697
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(OC)ccc1CCC
InChIInChI=1S/C13H16N2O2S/c1-3-4-9-5-6-10(17-2)7-11(9)15-12(16)8-18-13(15)14/h5-7,14H,3-4,8H2,1-2H3/b14-13-
InChIKeyCIBHZXBYCMURCP-YPKPFQOOSA-N
XLogP2.66
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.66
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-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one (CID 154675697) is 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cc(OC)ccc1CCC.
What is the InChIKey of 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is CIBHZXBYCMURCP-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-4-9-5-6-10(17-2)7-11(9)15-12(16)8-18-13(15)14/h5-7,14H,3-4,8H2,1-2H3/b14-13-.
What are the key properties of 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one?
2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(5-methoxy-2-propylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 154675697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).