3-(2-methyl-1,3-thiazol-4-yl)phenol

C10H9NOS — CID 23289294

IUPAC3-(2-methyl-1,3-thiazol-4-yl)phenol
SMILESCc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C10H9NOS/c1-7-11-10(6-13-7)8-3-2-4-9(12)5-8/h2-6,12H,1H3
InChIKeyXUTSREOVBGWBPA-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.82
Rot. Bonds1

About 3-(2-methyl-1,3-thiazol-4-yl)phenol

3-(2-methyl-1,3-thiazol-4-yl)phenol (PubChem CID 23289294) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)phenol
PubChem CID23289294
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)phenol
SMILESCc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C10H9NOS/c1-7-11-10(6-13-7)8-3-2-4-9(12)5-8/h2-6,12H,1H3
InChIKeyXUTSREOVBGWBPA-UHFFFAOYSA-N
XLogP2.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)phenol (CID 23289294) is 3-(2-methyl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)phenol is Cc1nc(-c2cccc(O)c2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)phenol?
The InChIKey is XUTSREOVBGWBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-7-11-10(6-13-7)8-3-2-4-9(12)5-8/h2-6,12H,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)phenol?
3-(2-methyl-1,3-thiazol-4-yl)phenol has a molecular weight of 191.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 23289294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).