5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol

C12H14N2OS — CID 154598811

IUPAC5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol
SMILESCc1nnc(-c2ccc(C(C)C)c(O)c2)s1
InChIInChI=1S/C12H14N2OS/c1-7(2)10-5-4-9(6-11(10)15)12-14-13-8(3)16-12/h4-7,15H,1-3H3
InChIKeyCRRDOGKMVHDLFF-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.34
Rot. Bonds2

About 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol

5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol (PubChem CID 154598811) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol
PubChem CID154598811
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol
SMILESCc1nnc(-c2ccc(C(C)C)c(O)c2)s1
InChIInChI=1S/C12H14N2OS/c1-7(2)10-5-4-9(6-11(10)15)12-14-13-8(3)16-12/h4-7,15H,1-3H3
InChIKeyCRRDOGKMVHDLFF-UHFFFAOYSA-N
XLogP3.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol?
The IUPAC name of 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol (CID 154598811) is 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol is Cc1nnc(-c2ccc(C(C)C)c(O)c2)s1.
What is the InChIKey of 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol?
The InChIKey is CRRDOGKMVHDLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7(2)10-5-4-9(6-11(10)15)12-14-13-8(3)16-12/h4-7,15H,1-3H3.
What are the key properties of 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol?
5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol has a molecular weight of 234.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylphenol is sourced from PubChem (CID 154598811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).