2-(1,3-thiazol-3-ium-3-yl)ethanol

C5H8NOS+ — CID 3559338

IUPAC2-(1,3-thiazol-3-ium-3-yl)ethanol
SMILESOCC[n+]1ccsc1
InChIInChI=1S/C5H8NOS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2/q+1
InChIKeySMUMNAJURYZMBT-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.03
Rot. Bonds2

About 2-(1,3-thiazol-3-ium-3-yl)ethanol

2-(1,3-thiazol-3-ium-3-yl)ethanol (PubChem CID 3559338) has the molecular formula C5H8NOS+ and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(1,3-thiazol-3-ium-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-3-ium-3-yl)ethanol
PubChem CID3559338
Molecular FormulaC5H8NOS+
Molecular Weight130.19 g/mol
Exact Mass130.03
IUPAC Name2-(1,3-thiazol-3-ium-3-yl)ethanol
SMILESOCC[n+]1ccsc1
InChIInChI=1S/C5H8NOS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2/q+1
InChIKeySMUMNAJURYZMBT-UHFFFAOYSA-N
XLogP0.03
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxythiazole
CID 61809
2-(1,3-Thiazol-2-yl)ethan-1-ol
CID 10034657
1,3-Thiazol-2-ylmethanol
CID 2795213
1-(1,3-Thiazol-2-yl)ethan-1-ol
CID 9989295
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
2-(1,3-Thiazol-2-ylmethylamino)ethanol
CID 28063241
3-Ethyl-1,3-thiazol-3-ium bromide
CID 19905863
2-(Methoxymethyl)thiazole
CID 22758941
2-(Thiazol-2-yloxy)ethanol
CID 45121950
O-[(1,3-thiazol-2-yl)methyl]hydroxylamine
CID 59478221
1,3-Thiazol-2-ylmethanediol
CID 91164735

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-3-ium-3-yl)ethanol?
The IUPAC name of 2-(1,3-thiazol-3-ium-3-yl)ethanol (CID 3559338) is 2-(1,3-thiazol-3-ium-3-yl)ethanol.
What is the SMILES notation for 2-(1,3-thiazol-3-ium-3-yl)ethanol?
The canonical SMILES for 2-(1,3-thiazol-3-ium-3-yl)ethanol is OCC[n+]1ccsc1.
What is the InChIKey of 2-(1,3-thiazol-3-ium-3-yl)ethanol?
The InChIKey is SMUMNAJURYZMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NOS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2/q+1.
What are the key properties of 2-(1,3-thiazol-3-ium-3-yl)ethanol?
2-(1,3-thiazol-3-ium-3-yl)ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-3-ium-3-yl)ethanol is sourced from PubChem (CID 3559338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).