2-(1,2-thiazol-5-ylmethylamino)ethanol

C6H10N2OS — CID 165405736

IUPAC2-(1,2-thiazol-5-ylmethylamino)ethanol
SMILESOCCNCc1ccns1
InChIInChI=1S/C6H10N2OS/c9-4-3-7-5-6-1-2-8-10-6/h1-2,7,9H,3-5H2
InChIKeyXPWIVKWMXSZAQI-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.22
Rot. Bonds4

About 2-(1,2-thiazol-5-ylmethylamino)ethanol

2-(1,2-thiazol-5-ylmethylamino)ethanol (PubChem CID 165405736) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-(1,2-thiazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(1,2-thiazol-5-ylmethylamino)ethanol
PubChem CID165405736
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-(1,2-thiazol-5-ylmethylamino)ethanol
SMILESOCCNCc1ccns1
InChIInChI=1S/C6H10N2OS/c9-4-3-7-5-6-1-2-8-10-6/h1-2,7,9H,3-5H2
InChIKeyXPWIVKWMXSZAQI-UHFFFAOYSA-N
XLogP0.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-thiazol-5-ylmethyl)ethanamine
CID 55287367
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588
2-[2-[(4-bromophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294481
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
CID 122165994
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
2-[(4-bromo-1,3-thiazol-5-yl)methylamino]ethanol
CID 165406031
2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol
CID 110879164
2-[(2-phenylmethoxy-1,3-thiazol-5-yl)methylamino]ethanol
CID 165076036

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-5-ylmethylamino)ethanol?
The IUPAC name of 2-(1,2-thiazol-5-ylmethylamino)ethanol (CID 165405736) is 2-(1,2-thiazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 2-(1,2-thiazol-5-ylmethylamino)ethanol?
The canonical SMILES for 2-(1,2-thiazol-5-ylmethylamino)ethanol is OCCNCc1ccns1.
What is the InChIKey of 2-(1,2-thiazol-5-ylmethylamino)ethanol?
The InChIKey is XPWIVKWMXSZAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c9-4-3-7-5-6-1-2-8-10-6/h1-2,7,9H,3-5H2.
What are the key properties of 2-(1,2-thiazol-5-ylmethylamino)ethanol?
2-(1,2-thiazol-5-ylmethylamino)ethanol has a molecular weight of 158.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 165405736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).