2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole

C17H11N5O3S — CID 127051019

About 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole

2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 127051019) has the molecular formula C17H11N5O3S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
• PubChem CID: 127051019
• Molecular Formula: C17H11N5O3S
• Molecular Weight: 365.37 g/mol
• Exact Mass: 365.06
• IUPAC Name: 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
• SMILES: Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1
• InChI: InChI=1S/C17H11N5O3S/c1-10-14(26-17(19-10)11-5-4-8-18-9-11)16-21-20-15(25-16)12-6-2-3-7-13(12)22(23)24/h2-9H,1H3
• InChIKey: ZEPPDPGEWNEHJE-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 107.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.37
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?

The IUPAC name of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole (CID 127051019) is 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2[N+](=O)[O-])o1.

What is the InChIKey of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?

The InChIKey is ZEPPDPGEWNEHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3S/c1-10-14(26-17(19-10)11-5-4-8-18-9-11)16-21-20-15(25-16)12-6-2-3-7-13(12)22(23)24/h2-9H,1H3.

What are the key properties of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole?

2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 365.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-(2-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 127051019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).