4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol

C8H13NO2S — CID 79823680

IUPAC4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCOCCC(O)Cc1nccs1
InChIInChI=1S/C8H13NO2S/c1-11-4-2-7(10)6-8-9-3-5-12-8/h3,5,7,10H,2,4,6H2,1H3
InChIKeyARFABIGLTXAQAP-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.08
Rot. Bonds5

About 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol

4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79823680) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID79823680
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCOCCC(O)Cc1nccs1
InChIInChI=1S/C8H13NO2S/c1-11-4-2-7(10)6-8-9-3-5-12-8/h3,5,7,10H,2,4,6H2,1H3
InChIKeyARFABIGLTXAQAP-UHFFFAOYSA-N
XLogP1.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol (CID 79823680) is 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol is COCCC(O)Cc1nccs1.
What is the InChIKey of 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is ARFABIGLTXAQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-11-4-2-7(10)6-8-9-3-5-12-8/h3,5,7,10H,2,4,6H2,1H3.
What are the key properties of 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol?
4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79823680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).