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

C16H16N2OS — CID 2860396

IUPAC2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCCOc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C16H16N2OS/c1-2-19-14-10-8-13(9-11-14)16-18-17-15(20-16)12-6-4-3-5-7-12/h3-11,16,18H,2H2,1H3
InChIKeySOJUDQIQZPAFPF-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.78
Rot. Bonds4

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

2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2860396) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2860396
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCCOc1ccc(C2NN=C(c3ccccc3)S2)cc1
InChIInChI=1S/C16H16N2OS/c1-2-19-14-10-8-13(9-11-14)16-18-17-15(20-16)12-6-4-3-5-7-12/h3-11,16,18H,2H2,1H3
InChIKeySOJUDQIQZPAFPF-UHFFFAOYSA-N
XLogP3.78
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 2860396) is 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is CCOc1ccc(C2NN=C(c3ccccc3)S2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is SOJUDQIQZPAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-19-14-10-8-13(9-11-14)16-18-17-15(20-16)12-6-4-3-5-7-12/h3-11,16,18H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 284.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2860396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).