1-(1,3-thiazol-2-yloxy)propan-1-ol

C6H9NO2S — CID 19979323

IUPAC1-(1,3-thiazol-2-yloxy)propan-1-ol
SMILESCCC(O)Oc1nccs1
InChIInChI=1S/C6H9NO2S/c1-2-5(8)9-6-7-3-4-10-6/h3-5,8H,2H2,1H3
InChIKeyAUWHJVONISAXLK-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.25
Rot. Bonds3

About 1-(1,3-thiazol-2-yloxy)propan-1-ol

1-(1,3-thiazol-2-yloxy)propan-1-ol (PubChem CID 19979323) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yloxy)propan-1-ol
PubChem CID19979323
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name1-(1,3-thiazol-2-yloxy)propan-1-ol
SMILESCCC(O)Oc1nccs1
InChIInChI=1S/C6H9NO2S/c1-2-5(8)9-6-7-3-4-10-6/h3-5,8H,2H2,1H3
InChIKeyAUWHJVONISAXLK-UHFFFAOYSA-N
XLogP1.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(1,3-thiazol-2-yloxy)propan-1-ol?
The IUPAC name of 1-(1,3-thiazol-2-yloxy)propan-1-ol (CID 19979323) is 1-(1,3-thiazol-2-yloxy)propan-1-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yloxy)propan-1-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yloxy)propan-1-ol is CCC(O)Oc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yloxy)propan-1-ol?
The InChIKey is AUWHJVONISAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-5(8)9-6-7-3-4-10-6/h3-5,8H,2H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yloxy)propan-1-ol?
1-(1,3-thiazol-2-yloxy)propan-1-ol has a molecular weight of 159.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yloxy)propan-1-ol is sourced from PubChem (CID 19979323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).