(2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H15N3O2S2 — CID 6885132

IUPAC(2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccs2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-13-6-4-12(5-7-13)10-19-15(20)11-23-16(19)18-17-9-14-3-2-8-22-14/h2-9H,10-11H2,1H3/b17-9+,18-16+
InChIKeyCMCDKTVQCJHNCD-APBNWAIRSA-N
MW345.45 g/mol
LogP3.22
Rot. Bonds5

About (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6885132) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6885132
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name(2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccs2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-21-13-6-4-12(5-7-13)10-19-15(20)11-23-16(19)18-17-9-14-3-2-8-22-14/h2-9H,10-11H2,1H3/b17-9+,18-16+
InChIKeyCMCDKTVQCJHNCD-APBNWAIRSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6885132) is (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccs2)cc1.
What is the InChIKey of (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is CMCDKTVQCJHNCD-APBNWAIRSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-21-13-6-4-12(5-7-13)10-19-15(20)11-23-16(19)18-17-9-14-3-2-8-22-14/h2-9H,10-11H2,1H3/b17-9+,18-16+.
What are the key properties of (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 345.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[(4-methoxyphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6885132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).