5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole

C16H14N2S2 — CID 4298055

IUPAC5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole
SMILESCc1ccc(C)c(Sc2snnc2-c2ccccc2)c1
InChIInChI=1S/C16H14N2S2/c1-11-8-9-12(2)14(10-11)19-16-15(17-18-20-16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyVKTONZPCGNIRIE-UHFFFAOYSA-N
MW298.44 g/mol
LogP4.97
Rot. Bonds3

About 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole

5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole (PubChem CID 4298055) has the molecular formula C16H14N2S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole
PubChem CID4298055
Molecular FormulaC16H14N2S2
Molecular Weight298.44 g/mol
Exact Mass298.06
IUPAC Name5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole
SMILESCc1ccc(C)c(Sc2snnc2-c2ccccc2)c1
InChIInChI=1S/C16H14N2S2/c1-11-8-9-12(2)14(10-11)19-16-15(17-18-20-16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyVKTONZPCGNIRIE-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole?
The IUPAC name of 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole (CID 4298055) is 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole.
What is the SMILES notation for 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole?
The canonical SMILES for 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole is Cc1ccc(C)c(Sc2snnc2-c2ccccc2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole?
The InChIKey is VKTONZPCGNIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S2/c1-11-8-9-12(2)14(10-11)19-16-15(17-18-20-16)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole?
5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole has a molecular weight of 298.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)sulfanyl-4-phenylthiadiazole is sourced from PubChem (CID 4298055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).