3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine

C9H9N2OS+ — CID 90707701

IUPAC3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine
SMILESNc1scc(-c2ccccc2)[n+]1O
InChIInChI=1S/C9H8N2OS/c10-9-11(12)8(6-13-9)7-4-2-1-3-5-7/h1-6,10,12H/p+1
InChIKeyLOGIOMTWUUWFFR-UHFFFAOYSA-O
MW193.25 g/mol
LogP1.52
Rot. Bonds1

About 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine

3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine (PubChem CID 90707701) has the molecular formula C9H9N2OS+ and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine.

Molecular Properties

Compound Name3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine
PubChem CID90707701
Molecular FormulaC9H9N2OS+
Molecular Weight193.25 g/mol
Exact Mass193.04
IUPAC Name3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine
SMILESNc1scc(-c2ccccc2)[n+]1O
InChIInChI=1S/C9H8N2OS/c10-9-11(12)8(6-13-9)7-4-2-1-3-5-7/h1-6,10,12H/p+1
InChIKeyLOGIOMTWUUWFFR-UHFFFAOYSA-O
XLogP1.52
TPSA50.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-phenyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonic acid
CID 5029743
3-ethyl-2-methyl-4-(4-phenylphenyl)-1,3-thiazol-3-ium
CID 54222066
5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium
CID 721556
4-phenylthiophen-2-amine;hydrochloride
CID 90309032
1,1'-biphenyl;1,3-thiazol-2-amine
CID 162233332
2,4-diphenylthiophene
CID 520616
benzene;tris(1,1'-biphenyl)
CID 162155747
4-phenyl-1,3-thiazol-3-ium-2-amine bromide
CID 43834339
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
ethyl 2-(3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-yl)acetate
CID 15750485
3-[6-(2-anilino-4-phenyl-1,3-thiazol-3-ium-3-yl)hexyl]-N,4-diphenyl-1,3-thiazol-3-ium-2-amine
CID 3415898
4-[(E)-2-(3-methyl-4-phenyl-1,3-thiazol-3-ium-2-yl)ethenyl]benzene-1,2-diol
CID 58130886

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine?
The IUPAC name of 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine (CID 90707701) is 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine.
What is the SMILES notation for 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine?
The canonical SMILES for 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine is Nc1scc(-c2ccccc2)[n+]1O.
What is the InChIKey of 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine?
The InChIKey is LOGIOMTWUUWFFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2OS/c10-9-11(12)8(6-13-9)7-4-2-1-3-5-7/h1-6,10,12H/p+1.
What are the key properties of 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine?
3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine has a molecular weight of 193.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenyl-1,3-thiazol-3-ium-2-amine is sourced from PubChem (CID 90707701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).