4-[4-(phenoxymethyl)phenyl]thiadiazole

C15H12N2OS — CID 141090282

IUPAC4-[4-(phenoxymethyl)phenyl]thiadiazole
SMILESc1ccc(OCc2ccc(-c3csnn3)cc2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-4-14(5-3-1)18-10-12-6-8-13(9-7-12)15-11-19-17-16-15/h1-9,11H,10H2
InChIKeyNNDIGFLSLJKVAH-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.78
Rot. Bonds4

About 4-[4-(phenoxymethyl)phenyl]thiadiazole

4-[4-(phenoxymethyl)phenyl]thiadiazole (PubChem CID 141090282) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[4-(phenoxymethyl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(phenoxymethyl)phenyl]thiadiazole
PubChem CID141090282
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-[4-(phenoxymethyl)phenyl]thiadiazole
SMILESc1ccc(OCc2ccc(-c3csnn3)cc2)cc1
InChIInChI=1S/C15H12N2OS/c1-2-4-14(5-3-1)18-10-12-6-8-13(9-7-12)15-11-19-17-16-15/h1-9,11H,10H2
InChIKeyNNDIGFLSLJKVAH-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenoxymethyl)phenyl]thiadiazole?
The IUPAC name of 4-[4-(phenoxymethyl)phenyl]thiadiazole (CID 141090282) is 4-[4-(phenoxymethyl)phenyl]thiadiazole.
What is the SMILES notation for 4-[4-(phenoxymethyl)phenyl]thiadiazole?
The canonical SMILES for 4-[4-(phenoxymethyl)phenyl]thiadiazole is c1ccc(OCc2ccc(-c3csnn3)cc2)cc1.
What is the InChIKey of 4-[4-(phenoxymethyl)phenyl]thiadiazole?
The InChIKey is NNDIGFLSLJKVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-2-4-14(5-3-1)18-10-12-6-8-13(9-7-12)15-11-19-17-16-15/h1-9,11H,10H2.
What are the key properties of 4-[4-(phenoxymethyl)phenyl]thiadiazole?
4-[4-(phenoxymethyl)phenyl]thiadiazole has a molecular weight of 268.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenoxymethyl)phenyl]thiadiazole is sourced from PubChem (CID 141090282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).