tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium

C9H17N2O3S+ — CID 123791014

IUPACtris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium
SMILESOCC[N+](CCO)(CCO)c1nccs1
InChIInChI=1S/C9H17N2O3S/c12-5-2-11(3-6-13,4-7-14)9-10-1-8-15-9/h1,8,12-14H,2-7H2/q+1
InChIKeyCQXOKGRURYNLEF-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.57
Rot. Bonds7

About tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium

tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium (PubChem CID 123791014) has the molecular formula C9H17N2O3S+ and a molecular weight of 233.31 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium
PubChem CID123791014
Molecular FormulaC9H17N2O3S+
Molecular Weight233.31 g/mol
Exact Mass233.10
IUPAC Nametris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium
SMILESOCC[N+](CCO)(CCO)c1nccs1
InChIInChI=1S/C9H17N2O3S/c12-5-2-11(3-6-13,4-7-14)9-10-1-8-15-9/h1,8,12-14H,2-7H2/q+1
InChIKeyCQXOKGRURYNLEF-UHFFFAOYSA-N
XLogP-0.57
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1,3-Thiazol-2-yl)amino]ethan-1-ol
CID 17962836
3-Azapentanedioic acid, 3-(2-thiazolyl)-
CID 3115033
4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
(S)-1-(thiazol-2-yl)pyrrolidin-3-ol
CID 53797653
1,1,1-Trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 63899579
2-[2,2-Difluoroethyl(1,3-thiazol-2-yl)amino]ethanol
CID 107484179
2-[1,3-Thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473
1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 2088725
2-[7-(1,3-Thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
CID 97472802
2-[Methyl(1,3-thiazol-2-yl)amino]ethanol
CID 10080635
2-[Methyl(1,3-thiazol-2-yl)amino]acetic acid
CID 16781373

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium?
The IUPAC name of tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium (CID 123791014) is tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium.
What is the SMILES notation for tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium?
The canonical SMILES for tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium is OCC[N+](CCO)(CCO)c1nccs1.
What is the InChIKey of tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium?
The InChIKey is CQXOKGRURYNLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O3S/c12-5-2-11(3-6-13,4-7-14)9-10-1-8-15-9/h1,8,12-14H,2-7H2/q+1.
What are the key properties of tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium?
tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium has a molecular weight of 233.31 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium is sourced from PubChem (CID 123791014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).