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

C18H16ClN3O2S — CID 7472482

IUPAC(2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=N\N=C/c1ccco1
InChIInChI=1S/C18H16ClN3O2S/c1-2-8-22-17(23)16(11-13-5-3-6-14(19)10-13)25-18(22)21-20-12-15-7-4-9-24-15/h2-7,9-10,12,16H,1,8,11H2/b20-12-,21-18-/t16-/m1/s1
InChIKeySFUUXISYGXLKHO-JLXHZPSVSA-N
MW373.87 g/mol
LogP4.00
Rot. Bonds6

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

(2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 7472482) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID7472482
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name(2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=N\N=C/c1ccco1
InChIInChI=1S/C18H16ClN3O2S/c1-2-8-22-17(23)16(11-13-5-3-6-14(19)10-13)25-18(22)21-20-12-15-7-4-9-24-15/h2-7,9-10,12,16H,1,8,11H2/b20-12-,21-18-/t16-/m1/s1
InChIKeySFUUXISYGXLKHO-JLXHZPSVSA-N
XLogP4.00
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2855983
(2Z,5S)-2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27290487
(2E)-5-benzyl-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648309
(2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7331928
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648312
5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 5193803
(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7403799
(2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 98147162
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40512977
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
CID 3106377
(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
(2Z)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887063

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 7472482) is (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=N\N=C/c1ccco1.
What is the InChIKey of (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is SFUUXISYGXLKHO-JLXHZPSVSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-2-8-22-17(23)16(11-13-5-3-6-14(19)10-13)25-18(22)21-20-12-15-7-4-9-24-15/h2-7,9-10,12,16H,1,8,11H2/b20-12-,21-18-/t16-/m1/s1.
What are the key properties of (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 373.87 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 7472482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).