(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H21N3OS2 — CID 46861454

IUPAC(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C19H21N3OS2/c1-3-7-17-18(23)22(13-15-9-5-4-8-14(15)2)19(25-17)21-20-12-16-10-6-11-24-16/h4-6,8-12,17H,3,7,13H2,1-2H3/b20-12+,21-19-
InChIKeyKFGYIMDRBXRGCJ-DAEVNUGZSA-N
MW371.53 g/mol
LogP4.69
Rot. Bonds6

About (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 46861454) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID46861454
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC Name(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C19H21N3OS2/c1-3-7-17-18(23)22(13-15-9-5-4-8-14(15)2)19(25-17)21-20-12-16-10-6-11-24-16/h4-6,8-12,17H,3,7,13H2,1-2H3/b20-12+,21-19-
InChIKeyKFGYIMDRBXRGCJ-DAEVNUGZSA-N
XLogP4.69
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 46861454) is (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O.
What is the InChIKey of (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KFGYIMDRBXRGCJ-DAEVNUGZSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-3-7-17-18(23)22(13-15-9-5-4-8-14(15)2)19(25-17)21-20-12-16-10-6-11-24-16/h4-6,8-12,17H,3,7,13H2,1-2H3/b20-12+,21-19-.
What are the key properties of (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 371.53 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 46861454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).