N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C25H23N5O2S — CID 55635787

About N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 55635787) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• PubChem CID: 55635787
• Molecular Formula: C25H23N5O2S
• Molecular Weight: 457.56 g/mol
• Exact Mass: 457.16
• IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• SMILES: Cc1cccn2cc(COc3ccccc3C(=O)NCCNc3nc4ccccc4s3)nc12
• InChI: InChI=1S/C25H23N5O2S/c1-17-7-6-14-30-15-18(28-23(17)30)16-32-21-10-4-2-8-19(21)24(31)26-12-13-27-25-29-20-9-3-5-11-22(20)33-25/h2-11,14-15H,12-13,16H2,1H3,(H,26,31)(H,27,29)
• InChIKey: VPKXUYKZVYDVSB-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.56
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 55635787) is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The canonical SMILES for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccccc3C(=O)NCCNc3nc4ccccc4s3)nc12.

What is the InChIKey of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The InChIKey is VPKXUYKZVYDVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-17-7-6-14-30-15-18(28-23(17)30)16-32-21-10-4-2-8-19(21)24(31)26-12-13-27-25-29-20-9-3-5-11-22(20)33-25/h2-11,14-15H,12-13,16H2,1H3,(H,26,31)(H,27,29).

What are the key properties of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 457.56 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 55635787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).