[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol

C6H9NO3S — CID 91167837

IUPAC[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol
SMILESCC(O)c1nc(C(O)O)cs1
InChIInChI=1S/C6H9NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2-3,6,8-10H,1H3
InChIKeyUHFRJJQAYMWUQB-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.18
Rot. Bonds2

About [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol

[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol (PubChem CID 91167837) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol.

Molecular Properties

Compound Name[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol
PubChem CID91167837
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol
SMILESCC(O)c1nc(C(O)O)cs1
InChIInChI=1S/C6H9NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2-3,6,8-10H,1H3
InChIKeyUHFRJJQAYMWUQB-UHFFFAOYSA-N
XLogP0.18
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol?
The IUPAC name of [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol (CID 91167837) is [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol.
What is the SMILES notation for [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol?
The canonical SMILES for [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol is CC(O)c1nc(C(O)O)cs1.
What is the InChIKey of [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol?
The InChIKey is UHFRJJQAYMWUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2-3,6,8-10H,1H3.
What are the key properties of [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol?
[2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol has a molecular weight of 175.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethyl)-1,3-thiazol-4-yl]methanediol is sourced from PubChem (CID 91167837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).