N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide

C26H18N6O3S — CID 18804560

About N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide

N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide (PubChem CID 18804560) has the molecular formula C26H18N6O3S and a molecular weight of 494.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide
• PubChem CID: 18804560
• Molecular Formula: C26H18N6O3S
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.12
• IUPAC Name: N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide
• SMILES: Cc1ccc(NC(=O)CN2C(=O)/C(=c3\sc4nc(-c5ccncc5)nn4c3=O)c3ccccc32)cc1
• InChI: InChI=1S/C26H18N6O3S/c1-15-6-8-17(9-7-15)28-20(33)14-31-19-5-3-2-4-18(19)21(24(31)34)22-25(35)32-26(36-22)29-23(30-32)16-10-12-27-13-11-16/h2-13H,14H2,1H3,(H,28,33)/b22-21-
• InChIKey: GHZXJGYSSIAKDX-DQRAZIAOSA-N
• XLogP: 2.42
• TPSA: 109.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?

The IUPAC name of N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide (CID 18804560) is N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide.

What is the SMILES notation for N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?

The canonical SMILES for N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)/C(=c3\sc4nc(-c5ccncc5)nn4c3=O)c3ccccc32)cc1.

What is the InChIKey of N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?

The InChIKey is GHZXJGYSSIAKDX-DQRAZIAOSA-N. The full InChI is InChI=1S/C26H18N6O3S/c1-15-6-8-17(9-7-15)28-20(33)14-31-19-5-3-2-4-18(19)21(24(31)34)22-25(35)32-26(36-22)29-23(30-32)16-10-12-27-13-11-16/h2-13H,14H2,1H3,(H,28,33)/b22-21-.

What are the key properties of N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?

N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide has a molecular weight of 494.54 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide is sourced from PubChem (CID 18804560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).