(5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

C10H8N2O2S — CID 1206242

IUPAC(5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2ccc(O)cc2)S1
InChIInChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5+
InChIKeyYBHQCJILTOVLHD-VMPITWQZSA-N
MW220.25 g/mol
LogP1.32
Rot. Bonds1

About (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

(5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 1206242) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID1206242
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name(5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESNC1=NC(=O)/C(=C\c2ccc(O)cc2)S1
InChIInChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5+
InChIKeyYBHQCJILTOVLHD-VMPITWQZSA-N
XLogP1.32
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Darbufelone
CID 6444826
(5Z)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1276529
2-Propenamide, 3-(4-hydroxyphenyl)-, (2E)-
CID 16637983
2-Imino-5-(4-methoxy-benzylidene)-thiazolidin-4-one
CID 1368524
Mirin
CID 1206243
(5Z)-5-((4-hydroxyphenyl)methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1241131
5-((4-Hydroxyphenyl)methylene)-2,4-thiazolidinedione
CID 517822
5-[(4-Hydroxyphenyl)methylene]-4-imino-1,3-thiazolidin-2-one
CID 2146901
(5E)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 6439421
N-[5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-4-oxo-4,5-dihydro-thiazol-2-yl]-guanidine
CID 10022305
2-[(5Z)-5-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylidene]-4-oxo-1,3-thiazol-2-yl]guanidine
CID 10452888
2-[(5Z)-5-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]guanidine
CID 10807549

Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (CID 1206242) is (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is NC1=NC(=O)/C(=C\c2ccc(O)cc2)S1.
What is the InChIKey of (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is YBHQCJILTOVLHD-VMPITWQZSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5+.
What are the key properties of (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
(5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 220.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1206242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).