2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol

C11H13N3OS — CID 22506053

IUPAC2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol
SMILESNc1ccc(NCCO)cc1-c1nccs1
InChIInChI=1S/C11H13N3OS/c12-10-2-1-8(13-3-5-15)7-9(10)11-14-4-6-16-11/h1-2,4,6-7,13,15H,3,5,12H2
InChIKeyWSCUIYNHEWVGHC-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.80
Rot. Bonds4

About 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol

2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol (PubChem CID 22506053) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol
PubChem CID22506053
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol
SMILESNc1ccc(NCCO)cc1-c1nccs1
InChIInChI=1S/C11H13N3OS/c12-10-2-1-8(13-3-5-15)7-9(10)11-14-4-6-16-11/h1-2,4,6-7,13,15H,3,5,12H2
InChIKeyWSCUIYNHEWVGHC-UHFFFAOYSA-N
XLogP1.80
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]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-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol?
The IUPAC name of 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol (CID 22506053) is 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol is Nc1ccc(NCCO)cc1-c1nccs1.
What is the InChIKey of 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol?
The InChIKey is WSCUIYNHEWVGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-10-2-1-8(13-3-5-15)7-9(10)11-14-4-6-16-11/h1-2,4,6-7,13,15H,3,5,12H2.
What are the key properties of 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol?
2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol has a molecular weight of 235.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(1,3-thiazol-2-yl)anilino]ethanol is sourced from PubChem (CID 22506053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).