2-(1-methoxypropyl)-1,3-thiazol-4-ol

C7H11NO2S — CID 126975848

IUPAC2-(1-methoxypropyl)-1,3-thiazol-4-ol
SMILESCCC(OC)c1nc(O)cs1
InChIInChI=1S/C7H11NO2S/c1-3-5(10-2)7-8-6(9)4-11-7/h4-5,9H,3H2,1-2H3
InChIKeyCPZDDEXIFOBVGP-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.95
Rot. Bonds3

About 2-(1-methoxypropyl)-1,3-thiazol-4-ol

2-(1-methoxypropyl)-1,3-thiazol-4-ol (PubChem CID 126975848) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1-methoxypropyl)-1,3-thiazol-4-ol
PubChem CID126975848
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-(1-methoxypropyl)-1,3-thiazol-4-ol
SMILESCCC(OC)c1nc(O)cs1
InChIInChI=1S/C7H11NO2S/c1-3-5(10-2)7-8-6(9)4-11-7/h4-5,9H,3H2,1-2H3
InChIKeyCPZDDEXIFOBVGP-UHFFFAOYSA-N
XLogP1.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1-methoxypropyl)-1,3-thiazol-4-ol (CID 126975848) is 2-(1-methoxypropyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1-methoxypropyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1-methoxypropyl)-1,3-thiazol-4-ol is CCC(OC)c1nc(O)cs1.
What is the InChIKey of 2-(1-methoxypropyl)-1,3-thiazol-4-ol?
The InChIKey is CPZDDEXIFOBVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-5(10-2)7-8-6(9)4-11-7/h4-5,9H,3H2,1-2H3.
What are the key properties of 2-(1-methoxypropyl)-1,3-thiazol-4-ol?
2-(1-methoxypropyl)-1,3-thiazol-4-ol has a molecular weight of 173.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 126975848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).