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

C9H7NOS — CID 135616172

IUPAC2-(1,3-thiazol-2-yl)phenol
SMILESOc1ccccc1-c1nccs1
InChIInChI=1S/C9H7NOS/c11-8-4-2-1-3-7(8)9-10-5-6-12-9/h1-6,11H
InChIKeyLOGPRZMQSREDOU-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.52
Rot. Bonds1

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

2-(1,3-thiazol-2-yl)phenol (PubChem CID 135616172) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)phenol
PubChem CID135616172
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name2-(1,3-thiazol-2-yl)phenol
SMILESOc1ccccc1-c1nccs1
InChIInChI=1S/C9H7NOS/c11-8-4-2-1-3-7(8)9-10-5-6-12-9/h1-6,11H
InChIKeyLOGPRZMQSREDOU-UHFFFAOYSA-N
XLogP2.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)phenol?
The IUPAC name of 2-(1,3-thiazol-2-yl)phenol (CID 135616172) is 2-(1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)phenol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)phenol is Oc1ccccc1-c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)phenol?
The InChIKey is LOGPRZMQSREDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-8-4-2-1-3-7(8)9-10-5-6-12-9/h1-6,11H.
What are the key properties of 2-(1,3-thiazol-2-yl)phenol?
2-(1,3-thiazol-2-yl)phenol has a molecular weight of 177.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 135616172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).