2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol

C8H11NO2S — CID 130501378

IUPAC2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol
SMILESCOC(c1nc(O)cs1)C1CC1
InChIInChI=1S/C8H11NO2S/c1-11-7(5-2-3-5)8-9-6(10)4-12-8/h4-5,7,10H,2-3H2,1H3
InChIKeyUMIDFGABTKGLGZ-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.95
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol

2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol (PubChem CID 130501378) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol
PubChem CID130501378
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol
SMILESCOC(c1nc(O)cs1)C1CC1
InChIInChI=1S/C8H11NO2S/c1-11-7(5-2-3-5)8-9-6(10)4-12-8/h4-5,7,10H,2-3H2,1H3
InChIKeyUMIDFGABTKGLGZ-UHFFFAOYSA-N
XLogP1.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
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-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol (CID 130501378) is 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol is COC(c1nc(O)cs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol?
The InChIKey is UMIDFGABTKGLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-11-7(5-2-3-5)8-9-6(10)4-12-8/h4-5,7,10H,2-3H2,1H3.
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol?
2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol has a molecular weight of 185.25 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-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 130501378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).