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

C16H13NOS — CID 142708641

IUPAC4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
SMILESCc1ccc(O)c(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H13NOS/c1-11-7-8-15(18)13(9-11)16-17-14(10-19-16)12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeyKXZBUQYZDHZHFI-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.49
Rot. Bonds2

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

4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol (PubChem CID 142708641) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
PubChem CID142708641
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
SMILESCc1ccc(O)c(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C16H13NOS/c1-11-7-8-15(18)13(9-11)16-17-14(10-19-16)12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeyKXZBUQYZDHZHFI-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 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol (CID 142708641) is 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol is Cc1ccc(O)c(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
The InChIKey is KXZBUQYZDHZHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-7-8-15(18)13(9-11)16-17-14(10-19-16)12-5-3-2-4-6-12/h2-10,18H,1H3.
What are the key properties of 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
4-methyl-2-(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 4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 142708641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).