N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide

C58H46N14O2S4 — CID 160758885

About N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide (PubChem CID 160758885) has the molecular formula C58H46N14O2S4 and a molecular weight of 1099.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
• PubChem CID: 160758885
• Molecular Formula: C58H46N14O2S4
• Molecular Weight: 1099.37 g/mol
• Exact Mass: 1098.28
• IUPAC Name: N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
• SMILES: Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(N5Cc6ccccc6C5)cn34)cs2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cccc(N5Cc6ccccc6C5)n34)cs2)s1
• InChI: InChI=1S/2C29H23N7OS2/c30-20-8-3-4-9-21(20)32-28(37)24-12-13-26(39-24)34-29-33-22(17-38-29)23-14-31-25-10-5-11-27(36(23)25)35-15-18-6-1-2-7-19(18)16-35;30-21-7-3-4-8-22(21)32-28(37)25-10-12-27(39-25)34-29-33-23(17-38-29)24-13-31-26-11-9-20(16-36(24)26)35-14-18-5-1-2-6-19(18)15-35/h1-14,17H,15-16,30H2,(H,32,37)(H,33,34);1-13,16-17H,14-15,30H2,(H,32,37)(H,33,34)
• InChIKey: RXUFWKWYEQJRAD-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 201.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1099.37
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?

The IUPAC name of N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide (CID 160758885) is N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide.

What is the SMILES notation for N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?

The canonical SMILES for N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(N5Cc6ccccc6C5)cn34)cs2)s1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cccc(N5Cc6ccccc6C5)n34)cs2)s1.

What is the InChIKey of N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?

The InChIKey is RXUFWKWYEQJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H23N7OS2/c30-20-8-3-4-9-21(20)32-28(37)24-12-13-26(39-24)34-29-33-22(17-38-29)23-14-31-25-10-5-11-27(36(23)25)35-15-18-6-1-2-7-19(18)16-35;30-21-7-3-4-8-22(21)32-28(37)25-10-12-27(39-25)34-29-33-23(17-38-29)24-13-31-26-11-9-20(16-36(24)26)35-14-18-5-1-2-6-19(18)15-35/h1-14,17H,15-16,30H2,(H,32,37)(H,33,34);1-13,16-17H,14-15,30H2,(H,32,37)(H,33,34).

What are the key properties of N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide?

N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide has a molecular weight of 1099.37 g/mol, XLogP of 13.24, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-5-[[4-[5-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 160758885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).