1-(1,3-thiazol-2-yl)ethane-1,2-diol

C5H7NO2S — CID 19593620

IUPAC1-(1,3-thiazol-2-yl)ethane-1,2-diol
SMILESOCC(O)c1nccs1
InChIInChI=1S/C5H7NO2S/c7-3-4(8)5-6-1-2-9-5/h1-2,4,7-8H,3H2
InChIKeyNRQHVNDGGUQYGE-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.17
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)ethane-1,2-diol

1-(1,3-thiazol-2-yl)ethane-1,2-diol (PubChem CID 19593620) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)ethane-1,2-diol
PubChem CID19593620
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name1-(1,3-thiazol-2-yl)ethane-1,2-diol
SMILESOCC(O)c1nccs1
InChIInChI=1S/C5H7NO2S/c7-3-4(8)5-6-1-2-9-5/h1-2,4,7-8H,3H2
InChIKeyNRQHVNDGGUQYGE-UHFFFAOYSA-N
XLogP0.17
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-Thiazol-2-yl-propan-2-ol
CID 12992807
Cyclopropyl(1,3-thiazol-2-yl)methanol
CID 22406973
2,2,2-Trifluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 50990575
2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
(1R)-1-(1,3-thiazol-2-yl)propan-1-ol hydrochloride
CID 170913972
2-Thiazolemethanol,-alpha--(1-methylethyl)-
CID 13032476
3-(Thiazole-2-yl)-oxetan-3-ol
CID 66521762

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(1,3-thiazol-2-yl)ethane-1,2-diol (CID 19593620) is 1-(1,3-thiazol-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)ethane-1,2-diol is OCC(O)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)ethane-1,2-diol?
The InChIKey is NRQHVNDGGUQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c7-3-4(8)5-6-1-2-9-5/h1-2,4,7-8H,3H2.
What are the key properties of 1-(1,3-thiazol-2-yl)ethane-1,2-diol?
1-(1,3-thiazol-2-yl)ethane-1,2-diol has a molecular weight of 145.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)ethane-1,2-diol is sourced from PubChem (CID 19593620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).