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

C16H14N2O2S — CID 132936861

IUPAC4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nsc(Cc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c19-13-5-1-11(2-6-13)9-15-17-16(21-18-15)10-12-3-7-14(20)8-4-12/h1-8,19-20H,9-10H2
InChIKeyZCOHDPOMRJBYMM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.13
Rot. Bonds4

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

4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol (PubChem CID 132936861) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol
PubChem CID132936861
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol
SMILESOc1ccc(Cc2nsc(Cc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C16H14N2O2S/c19-13-5-1-11(2-6-13)9-15-17-16(21-18-15)10-12-3-7-14(20)8-4-12/h1-8,19-20H,9-10H2
InChIKeyZCOHDPOMRJBYMM-UHFFFAOYSA-N
XLogP3.13
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.13
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)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol (CID 132936861) is 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol is Oc1ccc(Cc2nsc(Cc3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol?
The InChIKey is ZCOHDPOMRJBYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-13-5-1-11(2-6-13)9-15-17-16(21-18-15)10-12-3-7-14(20)8-4-12/h1-8,19-20H,9-10H2.
What are the key properties of 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol?
4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol has a molecular weight of 298.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-hydroxyphenyl)methyl]-1,2,4-thiadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 132936861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).