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

C14H10N2O2S — CID 5159154

IUPAC4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(-c3ccc(O)cc3)s2)cc1
InChIInChI=1S/C14H10N2O2S/c17-11-5-1-9(2-6-11)13-15-16-14(19-13)10-3-7-12(18)8-4-10/h1-8,17-18H
InChIKeyXMQUTIMDPCVAAQ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.28
Rot. Bonds2

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

4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 5159154) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol
PubChem CID5159154
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccc(-c2nnc(-c3ccc(O)cc3)s2)cc1
InChIInChI=1S/C14H10N2O2S/c17-11-5-1-9(2-6-11)13-15-16-14(19-13)10-3-7-12(18)8-4-10/h1-8,17-18H
InChIKeyXMQUTIMDPCVAAQ-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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol (CID 5159154) is 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol is Oc1ccc(-c2nnc(-c3ccc(O)cc3)s2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is XMQUTIMDPCVAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-11-5-1-9(2-6-11)13-15-16-14(19-13)10-3-7-12(18)8-4-10/h1-8,17-18H.
What are the key properties of 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol?
4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-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 4-[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 5159154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).