N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C17H12BrN5O2S — CID 78851794

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 78851794) has the molecular formula C17H12BrN5O2S and a molecular weight of 430.29 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
• PubChem CID: 78851794
• Molecular Formula: C17H12BrN5O2S
• Molecular Weight: 430.29 g/mol
• Exact Mass: 428.99
• IUPAC Name: N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
• SMILES: O=C(Cn1nc2ccccn2c1=O)Nc1nc(-c2cccc(Br)c2)cs1
• InChI: InChI=1S/C17H12BrN5O2S/c18-12-5-3-4-11(8-12)13-10-26-16(19-13)20-15(24)9-23-17(25)22-7-2-1-6-14(22)21-23/h1-8,10H,9H2,(H,19,20,24)
• InChIKey: QORAJSJQZNOMTK-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.29
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 78851794) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)Nc1nc(-c2cccc(Br)c2)cs1.

What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The InChIKey is QORAJSJQZNOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O2S/c18-12-5-3-4-11(8-12)13-10-26-16(19-13)20-15(24)9-23-17(25)22-7-2-1-6-14(22)21-23/h1-8,10H,9H2,(H,19,20,24).

What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 430.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 78851794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).