(5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H8N2O2S2 — CID 6202466

IUPAC(5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNN1C(=O)/C(=C/c2ccccc2O)SC1=S
InChIInChI=1S/C10H8N2O2S2/c11-12-9(14)8(16-10(12)15)5-6-3-1-2-4-7(6)13/h1-5,13H,11H2/b8-5-
InChIKeyFHQYHDZJELLOKV-YVMONPNESA-N
MW252.32 g/mol
LogP1.47
Rot. Bonds1

About (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6202466) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6202466
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name(5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNN1C(=O)/C(=C/c2ccccc2O)SC1=S
InChIInChI=1S/C10H8N2O2S2/c11-12-9(14)8(16-10(12)15)5-6-3-1-2-4-7(6)13/h1-5,13H,11H2/b8-5-
InChIKeyFHQYHDZJELLOKV-YVMONPNESA-N
XLogP1.47
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6202466) is (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is NN1C(=O)/C(=C/c2ccccc2O)SC1=S.
What is the InChIKey of (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FHQYHDZJELLOKV-YVMONPNESA-N. The full InChI is InChI=1S/C10H8N2O2S2/c11-12-9(14)8(16-10(12)15)5-6-3-1-2-4-7(6)13/h1-5,13H,11H2/b8-5-.
What are the key properties of (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 252.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-amino-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6202466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).