(2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one

C17H11N5O2S2 — CID 155808860

IUPAC(2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2nnc(-c3ccc(O)cc3)s2)S/C1=C\c1cccnc1
InChIInChI=1S/C17H11N5O2S2/c23-12-5-3-11(4-6-12)15-21-22-17(26-15)20-16-19-14(24)13(25-16)8-10-2-1-7-18-9-10/h1-9,23H,(H,19,20,22,24)/b13-8-
InChIKeyJXKYRHKERDVGBS-JYRVWZFOSA-N
MW381.44 g/mol
LogP3.20
Rot. Bonds3

About (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one

(2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 155808860) has the molecular formula C17H11N5O2S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID155808860
Molecular FormulaC17H11N5O2S2
Molecular Weight381.44 g/mol
Exact Mass381.04
IUPAC Name(2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2nnc(-c3ccc(O)cc3)s2)S/C1=C\c1cccnc1
InChIInChI=1S/C17H11N5O2S2/c23-12-5-3-11(4-6-12)15-21-22-17(26-15)20-16-19-14(24)13(25-16)8-10-2-1-7-18-9-10/h1-9,23H,(H,19,20,22,24)/b13-8-
InChIKeyJXKYRHKERDVGBS-JYRVWZFOSA-N
XLogP3.20
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 155808860) is (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N\c2nnc(-c3ccc(O)cc3)s2)S/C1=C\c1cccnc1.
What is the InChIKey of (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is JXKYRHKERDVGBS-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H11N5O2S2/c23-12-5-3-11(4-6-12)15-21-22-17(26-15)20-16-19-14(24)13(25-16)8-10-2-1-7-18-9-10/h1-9,23H,(H,19,20,22,24)/b13-8-.
What are the key properties of (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
(2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 381.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 155808860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).