2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole

C22H15N3OS — CID 2814965

IUPAC2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C22H15N3OS/c1-14-19(27-22(23-14)16-9-3-2-4-10-16)21-25-24-20(26-21)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3
InChIKeyHKNKMTXJVQLNLX-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.99
Rot. Bonds3

About 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole

2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole (PubChem CID 2814965) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole
PubChem CID2814965
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(-c2cccc3ccccc23)o1
InChIInChI=1S/C22H15N3OS/c1-14-19(27-22(23-14)16-9-3-2-4-10-16)21-25-24-20(26-21)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3
InChIKeyHKNKMTXJVQLNLX-UHFFFAOYSA-N
XLogP5.99
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole (CID 2814965) is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole is Cc1nc(-c2ccccc2)sc1-c1nnc(-c2cccc3ccccc23)o1.
What is the InChIKey of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
The InChIKey is HKNKMTXJVQLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c1-14-19(27-22(23-14)16-9-3-2-4-10-16)21-25-24-20(26-21)18-13-7-11-15-8-5-6-12-17(15)18/h2-13H,1H3.
What are the key properties of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole?
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole has a molecular weight of 369.45 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-naphthalen-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2814965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).