2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol

C15H12N2O2S — CID 136593917

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nsc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)14-16-15(20-17-14)12-4-2-3-5-13(12)18/h2-9,18H,1H3
InChIKeyJIVHWFFDAKXJLQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.59
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol

2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol (PubChem CID 136593917) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
PubChem CID136593917
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nsc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)14-16-15(20-17-14)12-4-2-3-5-13(12)18/h2-9,18H,1H3
InChIKeyJIVHWFFDAKXJLQ-UHFFFAOYSA-N
XLogP3.59
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
CID 25139169
2-[4-[4-(hydroxymethyl)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 135597460
1-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine
CID 71410981
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268591
3-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2,4-thiadiazole-5-carboxamide
CID 54133730
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;prop-1-en-2-ol
CID 142176460
2-[4-(2-methoxyphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenol
CID 154527419
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol (CID 136593917) is 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol is COc1ccc(-c2nsc(-c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The InChIKey is JIVHWFFDAKXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)14-16-15(20-17-14)12-4-2-3-5-13(12)18/h2-9,18H,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol has a molecular weight of 284.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol is sourced from PubChem (CID 136593917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).