N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C18H14N4O2S — CID 156824346

About N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156824346) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 156824346
• Molecular Formula: C18H14N4O2S
• Molecular Weight: 350.40 g/mol
• Exact Mass: 350.08
• IUPAC Name: N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: COc1ccccc1-n1ccs/c1=N\C(=O)c1c[nH]c2ncccc12
• InChI: InChI=1S/C18H14N4O2S/c1-24-15-7-3-2-6-14(15)22-9-10-25-18(22)21-17(23)13-11-20-16-12(13)5-4-8-19-16/h2-11H,1H3,(H,19,20)/b21-18-
• InChIKey: DSSYLSZFFRBGPX-UZYVYHOESA-N
• XLogP: 3.16
• TPSA: 72.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.40
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156824346) is N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccccc1-n1ccs/c1=N\C(=O)c1c[nH]c2ncccc12.

What is the InChIKey of N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is DSSYLSZFFRBGPX-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-24-15-7-3-2-6-14(15)22-9-10-25-18(22)21-17(23)13-11-20-16-12(13)5-4-8-19-16/h2-11H,1H3,(H,19,20)/b21-18-.

What are the key properties of N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxyphenyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156824346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).