2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol

C12H15N4OS+ — CID 59767412

IUPAC2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol
SMILESCNc1ccc(/N=N/c2scc[n+]2CCO)cc1
InChIInChI=1S/C12H14N4OS/c1-13-10-2-4-11(5-3-10)14-15-12-16(6-8-17)7-9-18-12/h2-5,7,9,17H,6,8H2,1H3/p+1
InChIKeyGATSTIZBFSEGAH-UHFFFAOYSA-O
MW263.35 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol

2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol (PubChem CID 59767412) has the molecular formula C12H15N4OS+ and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol
PubChem CID59767412
Molecular FormulaC12H15N4OS+
Molecular Weight263.35 g/mol
Exact Mass263.10
IUPAC Name2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol
SMILESCNc1ccc(/N=N/c2scc[n+]2CCO)cc1
InChIInChI=1S/C12H14N4OS/c1-13-10-2-4-11(5-3-10)14-15-12-16(6-8-17)7-9-18-12/h2-5,7,9,17H,6,8H2,1H3/p+1
InChIKeyGATSTIZBFSEGAH-UHFFFAOYSA-O
XLogP2.48
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol?
The IUPAC name of 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol (CID 59767412) is 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol.
What is the SMILES notation for 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol?
The canonical SMILES for 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol is CNc1ccc(/N=N/c2scc[n+]2CCO)cc1.
What is the InChIKey of 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol?
The InChIKey is GATSTIZBFSEGAH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N4OS/c1-13-10-2-4-11(5-3-10)14-15-12-16(6-8-17)7-9-18-12/h2-5,7,9,17H,6,8H2,1H3/p+1.
What are the key properties of 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol?
2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol has a molecular weight of 263.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(methylamino)phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]ethanol is sourced from PubChem (CID 59767412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).