2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol

C9H8N2O2S — CID 65276029

IUPAC2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol
SMILESCc1c(O)cccc1Oc1ncns1
InChIInChI=1S/C9H8N2O2S/c1-6-7(12)3-2-4-8(6)13-9-10-5-11-14-9/h2-5,12H,1H3
InChIKeySZWATNMOJIDQAH-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.34
Rot. Bonds2

About 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol

2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol (PubChem CID 65276029) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol.

Molecular Properties

Compound Name2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol
PubChem CID65276029
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol
SMILESCc1c(O)cccc1Oc1ncns1
InChIInChI=1S/C9H8N2O2S/c1-6-7(12)3-2-4-8(6)13-9-10-5-11-14-9/h2-5,12H,1H3
InChIKeySZWATNMOJIDQAH-UHFFFAOYSA-N
XLogP2.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol?
The IUPAC name of 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol (CID 65276029) is 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol.
What is the SMILES notation for 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol?
The canonical SMILES for 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol is Cc1c(O)cccc1Oc1ncns1.
What is the InChIKey of 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol?
The InChIKey is SZWATNMOJIDQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-6-7(12)3-2-4-8(6)13-9-10-5-11-14-9/h2-5,12H,1H3.
What are the key properties of 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol?
2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol has a molecular weight of 208.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,4-thiadiazol-5-yloxy)phenol is sourced from PubChem (CID 65276029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).