(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one

C17H17N3O2S — CID 7431599

IUPAC(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C/c1ccco1
InChIInChI=1S/C17H17N3O2S/c1-12-6-3-4-7-14(12)11-20-16(21)13(2)23-17(20)19-18-10-15-8-5-9-22-15/h3-10,13H,11H2,1-2H3/b18-10-,19-17-/t13-/m1/s1
InChIKeyQTIPLPVJAAOVDO-ZHMUGKOLSA-N
MW327.41 g/mol
LogP3.44
Rot. Bonds4

About (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one

(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 7431599) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID7431599
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C/c1ccco1
InChIInChI=1S/C17H17N3O2S/c1-12-6-3-4-7-14(12)11-20-16(21)13(2)23-17(20)19-18-10-15-8-5-9-22-15/h3-10,13H,11H2,1-2H3/b18-10-,19-17-/t13-/m1/s1
InChIKeyQTIPLPVJAAOVDO-ZHMUGKOLSA-N
XLogP3.44
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.44
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,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 7431599) is (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C/c1ccco1.
What is the InChIKey of (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is QTIPLPVJAAOVDO-ZHMUGKOLSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-6-3-4-7-14(12)11-20-16(21)13(2)23-17(20)19-18-10-15-8-5-9-22-15/h3-10,13H,11H2,1-2H3/b18-10-,19-17-/t13-/m1/s1.
What are the key properties of (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 327.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7431599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).