3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol

C16H13NOS — CID 28942281

IUPAC3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
SMILESCc1sc(-c2cccc(O)c2)nc1-c1ccccc1
InChIInChI=1S/C16H13NOS/c1-11-15(12-6-3-2-4-7-12)17-16(19-11)13-8-5-9-14(18)10-13/h2-10,18H,1H3
InChIKeyAZJJVQVIIUMPPF-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.49
Rot. Bonds2

About 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol

3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol (PubChem CID 28942281) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
PubChem CID28942281
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
SMILESCc1sc(-c2cccc(O)c2)nc1-c1ccccc1
InChIInChI=1S/C16H13NOS/c1-11-15(12-6-3-2-4-7-12)17-16(19-11)13-8-5-9-14(18)10-13/h2-10,18H,1H3
InChIKeyAZJJVQVIIUMPPF-UHFFFAOYSA-N
XLogP4.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol (CID 28942281) is 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol is Cc1sc(-c2cccc(O)c2)nc1-c1ccccc1.
What is the InChIKey of 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol?
The InChIKey is AZJJVQVIIUMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-15(12-6-3-2-4-7-12)17-16(19-11)13-8-5-9-14(18)10-13/h2-10,18H,1H3.
What are the key properties of 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol?
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol has a molecular weight of 267.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 28942281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).