4-(4-methoxyphenyl)-5-phenylthiadiazole

C15H12N2OS — CID 13427179

IUPAC4-(4-methoxyphenyl)-5-phenylthiadiazole
SMILESCOc1ccc(-c2nnsc2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2OS/c1-18-13-9-7-11(8-10-13)14-15(19-17-16-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyGDRPBBHLGZCTFT-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.88
Rot. Bonds3

About 4-(4-methoxyphenyl)-5-phenylthiadiazole

4-(4-methoxyphenyl)-5-phenylthiadiazole (PubChem CID 13427179) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-phenylthiadiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-phenylthiadiazole
PubChem CID13427179
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-(4-methoxyphenyl)-5-phenylthiadiazole
SMILESCOc1ccc(-c2nnsc2-c2ccccc2)cc1
InChIInChI=1S/C15H12N2OS/c1-18-13-9-7-11(8-10-13)14-15(19-17-16-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyGDRPBBHLGZCTFT-UHFFFAOYSA-N
XLogP3.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-phenylthiadiazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-phenylthiadiazole (CID 13427179) is 4-(4-methoxyphenyl)-5-phenylthiadiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-phenylthiadiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-phenylthiadiazole is COc1ccc(-c2nnsc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-phenylthiadiazole?
The InChIKey is GDRPBBHLGZCTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-18-13-9-7-11(8-10-13)14-15(19-17-16-14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-5-phenylthiadiazole?
4-(4-methoxyphenyl)-5-phenylthiadiazole has a molecular weight of 268.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-phenylthiadiazole is sourced from PubChem (CID 13427179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).