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

C11H11NOS — CID 19773531

IUPAC4-(2-ethyl-1,3-thiazol-4-yl)phenol
SMILESCCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C11H11NOS/c1-2-11-12-10(7-14-11)8-3-5-9(13)6-4-8/h3-7,13H,2H2,1H3
InChIKeyFOPSDNOEPATHFE-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.08
Rot. Bonds2

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

4-(2-ethyl-1,3-thiazol-4-yl)phenol (PubChem CID 19773531) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(2-ethyl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-ethyl-1,3-thiazol-4-yl)phenol
PubChem CID19773531
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-(2-ethyl-1,3-thiazol-4-yl)phenol
SMILESCCc1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C11H11NOS/c1-2-11-12-10(7-14-11)8-3-5-9(13)6-4-8/h3-7,13H,2H2,1H3
InChIKeyFOPSDNOEPATHFE-UHFFFAOYSA-N
XLogP3.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 4-(2-ethyl-1,3-thiazol-4-yl)phenol (CID 19773531) is 4-(2-ethyl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 4-(2-ethyl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 4-(2-ethyl-1,3-thiazol-4-yl)phenol is CCc1nc(-c2ccc(O)cc2)cs1.
What is the InChIKey of 4-(2-ethyl-1,3-thiazol-4-yl)phenol?
The InChIKey is FOPSDNOEPATHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-11-12-10(7-14-11)8-3-5-9(13)6-4-8/h3-7,13H,2H2,1H3.
What are the key properties of 4-(2-ethyl-1,3-thiazol-4-yl)phenol?
4-(2-ethyl-1,3-thiazol-4-yl)phenol has a molecular weight of 205.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 19773531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).