2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

C15H14N2S — CID 12885169

IUPAC2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H14N2S/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10,15,17H,1H3
InChIKeyRTZCTZQHENIPDE-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.69
Rot. Bonds2

About 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 12885169) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID12885169
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C15H14N2S/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10,15,17H,1H3
InChIKeyRTZCTZQHENIPDE-UHFFFAOYSA-N
XLogP3.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 12885169) is 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is Cc1ccc(C2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is RTZCTZQHENIPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10,15,17H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 254.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 12885169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).