5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C10H10N2O2S — CID 54050429

IUPAC5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESNc1cccc(Cc2sc(=O)[nH]c2O)c1
InChIInChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-4,13H,5,11H2,(H,12,14)
InChIKeyLSMSHSAMUCIUEC-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.32
Rot. Bonds2

About 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 54050429) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID54050429
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESNc1cccc(Cc2sc(=O)[nH]c2O)c1
InChIInChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-4,13H,5,11H2,(H,12,14)
InChIKeyLSMSHSAMUCIUEC-UHFFFAOYSA-N
XLogP1.32
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 54050429) is 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is Nc1cccc(Cc2sc(=O)[nH]c2O)c1.
What is the InChIKey of 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is LSMSHSAMUCIUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-4,13H,5,11H2,(H,12,14).
What are the key properties of 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 222.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54050429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).