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

C11H12N2OS — CID 155041147

IUPAC2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol
SMILESCCc1ccc(-c2nnc(C)s2)cc1O
InChIInChI=1S/C11H12N2OS/c1-3-8-4-5-9(6-10(8)14)11-13-12-7(2)15-11/h4-6,14H,3H2,1-2H3
InChIKeyDGDBQJAIWACCNC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.78
Rot. Bonds2

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

2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol (PubChem CID 155041147) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol.

Molecular Properties

Compound Name2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol
PubChem CID155041147
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol
SMILESCCc1ccc(-c2nnc(C)s2)cc1O
InChIInChI=1S/C11H12N2OS/c1-3-8-4-5-9(6-10(8)14)11-13-12-7(2)15-11/h4-6,14H,3H2,1-2H3
InChIKeyDGDBQJAIWACCNC-UHFFFAOYSA-N
XLogP2.78
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol?
The IUPAC name of 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol (CID 155041147) is 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol.
What is the SMILES notation for 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol?
The canonical SMILES for 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol is CCc1ccc(-c2nnc(C)s2)cc1O.
What is the InChIKey of 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol?
The InChIKey is DGDBQJAIWACCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-8-4-5-9(6-10(8)14)11-13-12-7(2)15-11/h4-6,14H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol?
2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol has a molecular weight of 220.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenol is sourced from PubChem (CID 155041147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).