[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol

C13H15NO2S — CID 28933165

IUPAC[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cscn1
InChIInChI=1S/C13H15NO2S/c1-9-3-11(5-15)4-10(2)13(9)16-6-12-7-17-8-14-12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyOWFSVIGDXALCDD-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.83
Rot. Bonds4

About [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol

[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol (PubChem CID 28933165) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
PubChem CID28933165
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
SMILESCc1cc(CO)cc(C)c1OCc1cscn1
InChIInChI=1S/C13H15NO2S/c1-9-3-11(5-15)4-10(2)13(9)16-6-12-7-17-8-14-12/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyOWFSVIGDXALCDD-UHFFFAOYSA-N
XLogP2.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
The IUPAC name of [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol (CID 28933165) is [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol is Cc1cc(CO)cc(C)c1OCc1cscn1.
What is the InChIKey of [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
The InChIKey is OWFSVIGDXALCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-3-11(5-15)4-10(2)13(9)16-6-12-7-17-8-14-12/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol?
[3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol has a molecular weight of 249.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 28933165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).