2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one

C11H11N3O2S — CID 6904551

IUPAC2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1/N=C/c1ccc(OC)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-13-14-10(15)7-17-11(14)12/h2-6,12H,7H2,1H3/b12-11-,13-6+
InChIKeyUOFUYLRIBJJKGR-CNZPJCCLSA-N
MW249.30 g/mol
LogP1.54
Rot. Bonds3

About 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one

2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one (PubChem CID 6904551) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one
PubChem CID6904551
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1/N=C/c1ccc(OC)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-13-14-10(15)7-17-11(14)12/h2-6,12H,7H2,1H3/b12-11-,13-6+
InChIKeyUOFUYLRIBJJKGR-CNZPJCCLSA-N
XLogP1.54
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one (CID 6904551) is 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1/N=C/c1ccc(OC)cc1.
What is the InChIKey of 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one?
The InChIKey is UOFUYLRIBJJKGR-CNZPJCCLSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-9-4-2-8(3-5-9)6-13-14-10(15)7-17-11(14)12/h2-6,12H,7H2,1H3/b12-11-,13-6+.
What are the key properties of 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one?
2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one has a molecular weight of 249.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6904551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).