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

C6H9NO3S — CID 12529044

IUPAC(2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol
SMILESOC[C@@H](O)COc1nccs1
InChIInChI=1S/C6H9NO3S/c8-3-5(9)4-10-6-7-1-2-11-6/h1-2,5,8-9H,3-4H2/t5-/m1/s1
InChIKeyZJRZJTLZCUGRFH-RXMQYKEDSA-N
MW175.21 g/mol
LogP-0.12
Rot. Bonds4

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

(2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol (PubChem CID 12529044) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol
PubChem CID12529044
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name(2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol
SMILESOC[C@@H](O)COc1nccs1
InChIInChI=1S/C6H9NO3S/c8-3-5(9)4-10-6-7-1-2-11-6/h1-2,5,8-9H,3-4H2/t5-/m1/s1
InChIKeyZJRZJTLZCUGRFH-RXMQYKEDSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
The IUPAC name of (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol (CID 12529044) is (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
The canonical SMILES for (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol is OC[C@@H](O)COc1nccs1.
What is the InChIKey of (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
The InChIKey is ZJRZJTLZCUGRFH-RXMQYKEDSA-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/t5-/m1/s1.
What are the key properties of (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol?
(2R)-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 (2R)-3-(1,3-thiazol-2-yloxy)propane-1,2-diol is sourced from PubChem (CID 12529044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).