4-(4-tert-butyl-1,3-thiazol-2-yl)phenol

C13H15NOS — CID 4962777

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)phenol
SMILESCC(C)(C)c1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H15NOS/c1-13(2,3)11-8-16-12(14-11)9-4-6-10(15)7-5-9/h4-8,15H,1-3H3
InChIKeyNNLXLHVUALWSQX-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.81
Rot. Bonds1

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

4-(4-tert-butyl-1,3-thiazol-2-yl)phenol (PubChem CID 4962777) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)phenol
PubChem CID4962777
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)phenol
SMILESCC(C)(C)c1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H15NOS/c1-13(2,3)11-8-16-12(14-11)9-4-6-10(15)7-5-9/h4-8,15H,1-3H3
InChIKeyNNLXLHVUALWSQX-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol (CID 4962777) is 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol is CC(C)(C)c1csc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol?
The InChIKey is NNLXLHVUALWSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-13(2,3)11-8-16-12(14-11)9-4-6-10(15)7-5-9/h4-8,15H,1-3H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol?
4-(4-tert-butyl-1,3-thiazol-2-yl)phenol has a molecular weight of 233.34 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 4962777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).