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

C20H18N2OS — CID 2871210

IUPAC2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCOc1ccc2ccccc2c1C1NN=C(c2ccc(C)cc2)S1
InChIInChI=1S/C20H18N2OS/c1-13-7-9-15(10-8-13)19-21-22-20(24-19)18-16-6-4-3-5-14(16)11-12-17(18)23-2/h3-12,20,22H,1-2H3
InChIKeyXBOZWXYHDHAUJS-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.85
Rot. Bonds3

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

2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2871210) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2871210
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCOc1ccc2ccccc2c1C1NN=C(c2ccc(C)cc2)S1
InChIInChI=1S/C20H18N2OS/c1-13-7-9-15(10-8-13)19-21-22-20(24-19)18-16-6-4-3-5-14(16)11-12-17(18)23-2/h3-12,20,22H,1-2H3
InChIKeyXBOZWXYHDHAUJS-UHFFFAOYSA-N
XLogP4.85
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.85
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-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (CID 2871210) is 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is COc1ccc2ccccc2c1C1NN=C(c2ccc(C)cc2)S1.
What is the InChIKey of 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is XBOZWXYHDHAUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-13-7-9-15(10-8-13)19-21-22-20(24-19)18-16-6-4-3-5-14(16)11-12-17(18)23-2/h3-12,20,22H,1-2H3.
What are the key properties of 2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
2-(2-methoxynaphthalen-1-yl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 334.44 g/mol, XLogP of 4.85, 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-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2871210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).