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

C11H7NOS — CID 136801055

IUPAC2-(4-ethynyl-1,3-thiazol-2-yl)phenol
SMILESC#Cc1csc(-c2ccccc2O)n1
InChIInChI=1S/C11H7NOS/c1-2-8-7-14-11(12-8)9-5-3-4-6-10(9)13/h1,3-7,13H
InChIKeyQMPQGCJFBWUGDV-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.50
Rot. Bonds1

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

2-(4-ethynyl-1,3-thiazol-2-yl)phenol (PubChem CID 136801055) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(4-ethynyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4-ethynyl-1,3-thiazol-2-yl)phenol
PubChem CID136801055
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name2-(4-ethynyl-1,3-thiazol-2-yl)phenol
SMILESC#Cc1csc(-c2ccccc2O)n1
InChIInChI=1S/C11H7NOS/c1-2-8-7-14-11(12-8)9-5-3-4-6-10(9)13/h1,3-7,13H
InChIKeyQMPQGCJFBWUGDV-UHFFFAOYSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136930256
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
CID 136849095
2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
CID 137000832
4-ethynyl-1,3-thiazole-2-carbaldehyde
CID 87782990
2-(1,3,4-thiadiazol-2-yl)phenol
CID 135744207
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol
CID 22259251
2-(4-phenylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889919
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
2-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449568

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethynyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 2-(4-ethynyl-1,3-thiazol-2-yl)phenol (CID 136801055) is 2-(4-ethynyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 2-(4-ethynyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 2-(4-ethynyl-1,3-thiazol-2-yl)phenol is C#Cc1csc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-ethynyl-1,3-thiazol-2-yl)phenol?
The InChIKey is QMPQGCJFBWUGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c1-2-8-7-14-11(12-8)9-5-3-4-6-10(9)13/h1,3-7,13H.
What are the key properties of 2-(4-ethynyl-1,3-thiazol-2-yl)phenol?
2-(4-ethynyl-1,3-thiazol-2-yl)phenol has a molecular weight of 201.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethynyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 136801055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).