3-(1,3-thiazol-2-yloxy)propane-1,2-diol

C6H9NO3S — CID 12529043

IUPAC3-(1,3-thiazol-2-yloxy)propane-1,2-diol
SMILESOCC(O)COc1nccs1
InChIInChI=1S/C6H9NO3S/c8-3-5(9)4-10-6-7-1-2-11-6/h1-2,5,8-9H,3-4H2
InChIKeyZJRZJTLZCUGRFH-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.12
Rot. Bonds4

About 3-(1,3-thiazol-2-yloxy)propane-1,2-diol

3-(1,3-thiazol-2-yloxy)propane-1,2-diol (PubChem CID 12529043) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yloxy)propane-1,2-diol
PubChem CID12529043
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name3-(1,3-thiazol-2-yloxy)propane-1,2-diol
SMILESOCC(O)COc1nccs1
InChIInChI=1S/C6H9NO3S/c8-3-5(9)4-10-6-7-1-2-11-6/h1-2,5,8-9H,3-4H2
InChIKeyZJRZJTLZCUGRFH-UHFFFAOYSA-N
XLogP-0.12
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S)-2-(hydroxymethyl)-5-(1,3-thiazol-2-ylsulfanyl)oxolane-3,4-diol
CID 44426040
2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
2-(Thiazol-2-yloxy)ethanol
CID 45121950
1-Fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol
CID 131219858
1,2-Epoxy-3-(thiazol-2-oxy)-propane
CID 12399817
(2R)-3-[(1,3-Thiazol-2-yl)oxy]propane-1,2-diol
CID 12529044
1-(1,3-Thiazol-2-yloxy)propan-1-ol
CID 19979323
3-Octadecoxy-2-(1,3-thiazol-2-yloxy)propan-1-ol
CID 19986116
3-(1,3-Thiazol-2-yloxy)propane-1,1-diol
CID 20328368
2-Methyloxirane;1,3-thiazole
CID 20328499
1-(1,3-Thiazol-2-yloxy)propan-2-ol
CID 20328596
2-Isopropoxythiazole
CID 21334097

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
The IUPAC name of 3-(1,3-thiazol-2-yloxy)propane-1,2-diol (CID 12529043) is 3-(1,3-thiazol-2-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(1,3-thiazol-2-yloxy)propane-1,2-diol is OCC(O)COc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
The InChIKey is ZJRZJTLZCUGRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c8-3-5(9)4-10-6-7-1-2-11-6/h1-2,5,8-9H,3-4H2.
What are the key properties of 3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
3-(1,3-thiazol-2-yloxy)propane-1,2-diol has a molecular weight of 175.21 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yloxy)propane-1,2-diol is sourced from PubChem (CID 12529043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).