2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol

C8H14N2O2S — CID 61283861

IUPAC2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
SMILESOCCOCCNCc1nccs1
InChIInChI=1S/C8H14N2O2S/c11-3-5-12-4-1-9-7-8-10-2-6-13-8/h2,6,9,11H,1,3-5,7H2
InChIKeyIJLLKRDCTVCQQX-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.24
Rot. Bonds7

About 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol

2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol (PubChem CID 61283861) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
PubChem CID61283861
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
SMILESOCCOCCNCc1nccs1
InChIInChI=1S/C8H14N2O2S/c11-3-5-12-4-1-9-7-8-10-2-6-13-8/h2,6,9,11H,1,3-5,7H2
InChIKeyIJLLKRDCTVCQQX-UHFFFAOYSA-N
XLogP0.24
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
CID 103992433
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
CID 82681883
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
CID 62759524
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol (CID 61283861) is 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol is OCCOCCNCc1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol?
The InChIKey is IJLLKRDCTVCQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c11-3-5-12-4-1-9-7-8-10-2-6-13-8/h2,6,9,11H,1,3-5,7H2.
What are the key properties of 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol?
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol has a molecular weight of 202.28 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol is sourced from PubChem (CID 61283861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).