(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

C15H11N3O2S — CID 135935122

IUPAC(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccccn1
InChIInChI=1S/C15H11N3O2S/c19-12-6-4-10(5-7-12)17-15-18-14(20)13(21-15)9-11-3-1-2-8-16-11/h1-9,19H,(H,17,18,20)/b13-9-
InChIKeyZQKHGUIYEYMKFP-LCYFTJDESA-N
MW297.34 g/mol
LogP2.68
Rot. Bonds2

About (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135935122) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135935122
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccccn1
InChIInChI=1S/C15H11N3O2S/c19-12-6-4-10(5-7-12)17-15-18-14(20)13(21-15)9-11-3-1-2-8-16-11/h1-9,19H,(H,17,18,20)/b13-9-
InChIKeyZQKHGUIYEYMKFP-LCYFTJDESA-N
XLogP2.68
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135781935
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834865
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
(5Z)-2-(2,5-dimethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834908
(5Z)-2-(4-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135529565
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135482537
4-[(Z)-[2-(4-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135593739
5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135473662
2-(4-hydroxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135447185
2-(4-hydroxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135486601
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135453678
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135827851

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135935122) is (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccccn1.
What is the InChIKey of (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is ZQKHGUIYEYMKFP-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-12-6-4-10(5-7-12)17-15-18-14(20)13(21-15)9-11-3-1-2-8-16-11/h1-9,19H,(H,17,18,20)/b13-9-.
What are the key properties of (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 297.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135935122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).