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

C15H12N2O2S — CID 25139169

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nsc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-13-7-5-10(6-8-13)14-16-15(20-17-14)11-3-2-4-12(18)9-11/h2-9,18H,1H3
InChIKeyPRVNAYNCRLKGGM-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.59
Rot. Bonds3

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

3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol (PubChem CID 25139169) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
PubChem CID25139169
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nsc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C15H12N2O2S/c1-19-13-7-5-10(6-8-13)14-16-15(20-17-14)11-3-2-4-12(18)9-11/h2-9,18H,1H3
InChIKeyPRVNAYNCRLKGGM-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

2-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
CID 136593917
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
CID 12846883
sodium 3-methoxyphenol
CID 19079440
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
N-[2-amino-5-(3-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736690
2,11-bis(3-methoxyphenyl)triphenylene;3-[11-(3-hydroxyphenyl)triphenylen-2-yl]phenol;pyridine;hydrochloride
CID 158333583
3-[2-(4-methoxyphenyl)ethynyl]phenol
CID 53439775
5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole
CID 86217654
5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
CID 162444221
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
1-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine
CID 71410981

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol (CID 25139169) is 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol is COc1ccc(-c2nsc(-c3cccc(O)c3)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The InChIKey is PRVNAYNCRLKGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-13-7-5-10(6-8-13)14-16-15(20-17-14)11-3-2-4-12(18)9-11/h2-9,18H,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
3-[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 3-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]phenol is sourced from PubChem (CID 25139169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).