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

C14H10N2O2S — CID 135899489

IUPAC3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
SMILESOc1ccc(-c2nsc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C14H10N2O2S/c17-11-6-4-9(5-7-11)13-15-14(19-16-13)10-2-1-3-12(18)8-10/h1-8,17-18H
InChIKeyPQJHQGDJUMPOAE-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.28
Rot. Bonds2

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

3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol (PubChem CID 135899489) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
PubChem CID135899489
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol
SMILESOc1ccc(-c2nsc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C14H10N2O2S/c17-11-6-4-9(5-7-11)13-15-14(19-16-13)10-2-1-3-12(18)8-10/h1-8,17-18H
InChIKeyPQJHQGDJUMPOAE-UHFFFAOYSA-N
XLogP3.28
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-Hydroxyphenyl)-1,2,4-thiadiazol-3-yl]phenol
CID 25093379
3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole
CID 56837846
4,4'-(1,2,4-Thiadiazole-3,5-diyl)diphenol
CID 135926058
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
4-[5-(3,4-Dihydroxyphenyl)-1,2,4-thiadiazol-3-yl]benzene-1,2-diol
CID 136265446
3-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899473
4-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899474
4-[[5-[(4-Hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol
CID 132936861
4-(5-Amino-1,2,4-thiadiazol-3-yl)phenol hydrochloride
CID 145895997
4-(5-Amino-1,2,4-thiadiazol-3-yl)phenol
CID 135966545
2-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]phenol
CID 136029789
2-Fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol
CID 155620359

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol (CID 135899489) is 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol is Oc1ccc(-c2nsc(-c3cccc(O)c3)n2)cc1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
The InChIKey is PQJHQGDJUMPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-11-6-4-9(5-7-11)13-15-14(19-16-13)10-2-1-3-12(18)8-10/h1-8,17-18H.
What are the key properties of 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol?
3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol has a molecular weight of 270.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]phenol is sourced from PubChem (CID 135899489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).