5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H19N3O2S — CID 172936341

IUPAC5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=N/N=C/c2c(O)ccc3ccccc23)NC1=O
InChIInChI=1S/C18H19N3O2S/c1-2-3-8-16-17(23)20-18(24-16)21-19-11-14-13-7-5-4-6-12(13)9-10-15(14)22/h4-7,9-11,16,22H,2-3,8H2,1H3,(H,20,21,23)/b19-11+
InChIKeyBPXSRJSNTJBENH-YBFXNURJSA-N
MW341.44 g/mol
LogP3.66
Rot. Bonds5

About 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 172936341) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID172936341
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=N/N=C/c2c(O)ccc3ccccc23)NC1=O
InChIInChI=1S/C18H19N3O2S/c1-2-3-8-16-17(23)20-18(24-16)21-19-11-14-13-7-5-4-6-12(13)9-10-15(14)22/h4-7,9-11,16,22H,2-3,8H2,1H3,(H,20,21,23)/b19-11+
InChIKeyBPXSRJSNTJBENH-YBFXNURJSA-N
XLogP3.66
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 135852394
(2E)-2-[(E)-anthracen-9-ylmethylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 136722471
(2E,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135750886
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628295
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366
(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one
CID 135794082
5-ethyl-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135447174
2-[2-[(2-hydroxy-7-methoxynaphthalen-1-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168621911
2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
CID 137292315
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]ethyl acetate
CID 135707202
2-[(2Z,5R)-2-[(Z)-[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136845386
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 172936341) is 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCC1SC(=N/N=C/c2c(O)ccc3ccccc23)NC1=O.
What is the InChIKey of 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BPXSRJSNTJBENH-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-3-8-16-17(23)20-18(24-16)21-19-11-14-13-7-5-4-6-12(13)9-10-15(14)22/h4-7,9-11,16,22H,2-3,8H2,1H3,(H,20,21,23)/b19-11+.
What are the key properties of 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 341.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172936341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).