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

C15H12N2OS — CID 136843777

IUPAC4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol
SMILESCc1ccc(O)c(-c2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C15H12N2OS/c1-10-5-6-14(18)11(8-10)15-17-13(9-19-15)12-4-2-3-7-16-12/h2-9,18H,1H3
InChIKeyNSDGZSSLRLUNSD-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.89
Rot. Bonds2

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

4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol (PubChem CID 136843777) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol
PubChem CID136843777
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol
SMILESCc1ccc(O)c(-c2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C15H12N2OS/c1-10-5-6-14(18)11(8-10)15-17-13(9-19-15)12-4-2-3-7-16-12/h2-9,18H,1H3
InChIKeyNSDGZSSLRLUNSD-UHFFFAOYSA-N
XLogP3.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol (CID 136843777) is 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol is Cc1ccc(O)c(-c2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol?
The InChIKey is NSDGZSSLRLUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-5-6-14(18)11(8-10)15-17-13(9-19-15)12-4-2-3-7-16-12/h2-9,18H,1H3.
What are the key properties of 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol?
4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol has a molecular weight of 268.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 136843777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).