(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H19N3O2S2 — CID 40512977

IUPAC(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N\N=C/c1cccs1
InChIInChI=1S/C19H19N3O2S2/c1-3-10-22-18(23)17(12-14-6-8-15(24-2)9-7-14)26-19(22)21-20-13-16-5-4-11-25-16/h3-9,11,13,17H,1,10,12H2,2H3/b20-13-,21-19-/t17-/m1/s1
InChIKeyYQBJJSPHFYJNRJ-NKKNEEGLSA-N
MW385.51 g/mol
LogP3.82
Rot. Bonds7

About (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 40512977) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID40512977
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N\N=C/c1cccs1
InChIInChI=1S/C19H19N3O2S2/c1-3-10-22-18(23)17(12-14-6-8-15(24-2)9-7-14)26-19(22)21-20-13-16-5-4-11-25-16/h3-9,11,13,17H,1,10,12H2,2H3/b20-13-,21-19-/t17-/m1/s1
InChIKeyYQBJJSPHFYJNRJ-NKKNEEGLSA-N
XLogP3.82
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z,5R)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7472270
(2Z,5R)-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 98118994
(2E,5R)-5-[(4-methoxyphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135602921
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 42034110
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2855983
5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5193803
(2E)-5-benzyl-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648309
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
CID 7329424
(2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7331928
(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6893369
5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 3929143

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 40512977) is (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C=CCN1C(=O)[C@@H](Cc2ccc(OC)cc2)S/C1=N\N=C/c1cccs1.
What is the InChIKey of (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YQBJJSPHFYJNRJ-NKKNEEGLSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-3-10-22-18(23)17(12-14-6-8-15(24-2)9-7-14)26-19(22)21-20-13-16-5-4-11-25-16/h3-9,11,13,17H,1,10,12H2,2H3/b20-13-,21-19-/t17-/m1/s1.
What are the key properties of (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 385.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 40512977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).