8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene

C30H26N6O2S2 — CID 143716978

About 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene

8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene (PubChem CID 143716978) has the molecular formula C30H26N6O2S2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene
• PubChem CID: 143716978
• Molecular Formula: C30H26N6O2S2
• Molecular Weight: 566.71 g/mol
• Exact Mass: 566.16
• IUPAC Name: 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene
• SMILES: NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.c1ccc2c(c1)CCC2
• InChI: InChI=1S/C21H16N6O2S2.C9H10/c22-18(28)17-16(12-5-7-30-10-12)26-19-13(2-1-6-27(17)19)20(29)24-9-11-3-4-14-15(8-11)31-21(23)25-14;1-2-5-9-7-3-6-8(9)4-1/h1-8,10H,9H2,(H2,22,28)(H2,23,25)(H,24,29);1-2,4-5H,3,6-7H2
• InChIKey: CRIISZYYIIXIFU-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 128.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.71
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene?

The IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene (CID 143716978) is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene.

What is the SMILES notation for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene?

The canonical SMILES for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene is NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.c1ccc2c(c1)CCC2.

What is the InChIKey of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene?

The InChIKey is CRIISZYYIIXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2S2.C9H10/c22-18(28)17-16(12-5-7-30-10-12)26-19-13(2-1-6-27(17)19)20(29)24-9-11-3-4-14-15(8-11)31-21(23)25-14;1-2-5-9-7-3-6-8(9)4-1/h1-8,10H,9H2,(H2,22,28)(H2,23,25)(H,24,29);1-2,4-5H,3,6-7H2.

What are the key properties of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene?

8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene has a molecular weight of 566.71 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;2,3-dihydro-1H-indene is sourced from PubChem (CID 143716978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).