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

C19H16N2OS — CID 2859868

IUPAC2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCOc1ccc2ccccc2c1C1NN=C(c2ccccc2)S1
InChIInChI=1S/C19H16N2OS/c1-22-16-12-11-13-7-5-6-10-15(13)17(16)19-21-20-18(23-19)14-8-3-2-4-9-14/h2-12,19,21H,1H3
InChIKeyWWEQVVQMLAOYSZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.55
Rot. Bonds3

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

2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2859868) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2859868
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESCOc1ccc2ccccc2c1C1NN=C(c2ccccc2)S1
InChIInChI=1S/C19H16N2OS/c1-22-16-12-11-13-7-5-6-10-15(13)17(16)19-21-20-18(23-19)14-8-3-2-4-9-14/h2-12,19,21H,1H3
InChIKeyWWEQVVQMLAOYSZ-UHFFFAOYSA-N
XLogP4.55
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 2859868) is 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is COc1ccc2ccccc2c1C1NN=C(c2ccccc2)S1.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is WWEQVVQMLAOYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-22-16-12-11-13-7-5-6-10-15(13)17(16)19-21-20-18(23-19)14-8-3-2-4-9-14/h2-12,19,21H,1H3.
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 320.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxynaphthalen-1-yl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2859868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).