(5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H18N2O2S — CID 2274780

IUPAC(5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1c1cc(C)ccc1C
InChIInChI=1S/C19H18N2O2S/c1-12-4-5-13(2)16(10-12)21-18(22)17(24-19(21)20)11-14-6-8-15(23-3)9-7-14/h4-11,20H,1-3H3/b17-11+,20-19-
InChIKeyDURNUFXUOGQRPD-KRICTJEJSA-N
MW338.43 g/mol
LogP4.37
Rot. Bonds3

About (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 2274780) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID2274780
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1c1cc(C)ccc1C
InChIInChI=1S/C19H18N2O2S/c1-12-4-5-13(2)16(10-12)21-18(22)17(24-19(21)20)11-14-6-8-15(23-3)9-7-14/h4-11,20H,1-3H3/b17-11+,20-19-
InChIKeyDURNUFXUOGQRPD-KRICTJEJSA-N
XLogP4.37
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 2274780) is (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C/c2ccc(OC)cc2)C(=O)N1c1cc(C)ccc1C.
What is the InChIKey of (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DURNUFXUOGQRPD-KRICTJEJSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-4-5-13(2)16(10-12)21-18(22)17(24-19(21)20)11-14-6-8-15(23-3)9-7-14/h4-11,20H,1-3H3/b17-11+,20-19-.
What are the key properties of (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 338.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2,5-dimethylphenyl)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2274780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).