N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C19H16N4OS — CID 154858750

About N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 154858750) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 154858750
• Molecular Formula: C19H16N4OS
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.10
• IUPAC Name: N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: Cc1ccc(Cn2ccs/c2=N/C(=O)c2c[nH]c3ncccc23)cc1
• InChI: InChI=1S/C19H16N4OS/c1-13-4-6-14(7-5-13)12-23-9-10-25-19(23)22-18(24)16-11-21-17-15(16)3-2-8-20-17/h2-11H,12H2,1H3,(H,20,21)/b22-19+
• InChIKey: NYPGOBGZVUDKLC-ZBJSNUHESA-N
• XLogP: 3.52
• TPSA: 63.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 154858750) is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(Cn2ccs/c2=N/C(=O)c2c[nH]c3ncccc23)cc1.

What is the InChIKey of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is NYPGOBGZVUDKLC-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-4-6-14(7-5-13)12-23-9-10-25-19(23)22-18(24)16-11-21-17-15(16)3-2-8-20-17/h2-11H,12H2,1H3,(H,20,21)/b22-19+.

What are the key properties of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 154858750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).