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

C10H8N2O2S — CID 2146901

IUPAC(5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)S/C1=C\c1ccc(O)cc1
InChIInChI=1S/C10H8N2O2S/c11-9-8(15-10(14)12-9)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-
InChIKeyKZTAWJUZFLOYKH-YVMONPNESA-N
MW220.25 g/mol
LogP1.96
Rot. Bonds1

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

(5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one (PubChem CID 2146901) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one.

Molecular Properties

Compound Name(5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one
PubChem CID2146901
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name(5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)S/C1=C\c1ccc(O)cc1
InChIInChI=1S/C10H8N2O2S/c11-9-8(15-10(14)12-9)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-
InChIKeyKZTAWJUZFLOYKH-YVMONPNESA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one?
The IUPAC name of (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one (CID 2146901) is (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one.
What is the SMILES notation for (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one?
The canonical SMILES for (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one is NC1=NC(=O)S/C1=C\c1ccc(O)cc1.
What is the InChIKey of (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one?
The InChIKey is KZTAWJUZFLOYKH-YVMONPNESA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-9-8(15-10(14)12-9)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5-.
What are the key properties of (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one?
(5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one has a molecular weight of 220.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-amino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-2-one is sourced from PubChem (CID 2146901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).