(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one

C12H13N3OS — CID 137195595

IUPAC(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(=NN=C1NC(=O)[C@@H](C)S1)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-8(10-6-4-3-5-7-10)14-15-12-13-11(16)9(2)17-12/h3-7,9H,1-2H3,(H,13,15,16)/t9-/m1/s1
InChIKeyICTXUBSUUAHQNV-SECBINFHSA-N
MW247.32 g/mol
LogP2.02
Rot. Bonds2

About (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one

(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 137195595) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID137195595
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(=NN=C1NC(=O)[C@@H](C)S1)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-8(10-6-4-3-5-7-10)14-15-12-13-11(16)9(2)17-12/h3-7,9H,1-2H3,(H,13,15,16)/t9-/m1/s1
InChIKeyICTXUBSUUAHQNV-SECBINFHSA-N
XLogP2.02
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136822477
(2Z,5R)-5-methyl-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851403
(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728737
(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135900795
(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135941737
(6R)-4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxylic acid
CID 137230444
(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 137172460
(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136678559
(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135674822
5-[(4-bromophenyl)methyl]-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135502494
N-ethyl-2-[(5R)-4-oxo-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137085060
(2E,5S)-5-[(4-bromophenyl)methyl]-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749689

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 137195595) is (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(=NN=C1NC(=O)[C@@H](C)S1)c1ccccc1.
What is the InChIKey of (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is ICTXUBSUUAHQNV-SECBINFHSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(10-6-4-3-5-7-10)14-15-12-13-11(16)9(2)17-12/h3-7,9H,1-2H3,(H,13,15,16)/t9-/m1/s1.
What are the key properties of (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 247.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137195595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).