methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate

C20H18N4O4S — CID 43941053

About methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate

methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate (PubChem CID 43941053) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
• PubChem CID: 43941053
• Molecular Formula: C20H18N4O4S
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.10
• IUPAC Name: methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
• SMILES: COC(=O)Cn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc(OC)ccc21
• InChI: InChI=1S/C20H18N4O4S/c1-12-18(23-9-5-4-6-16(23)21-12)19(26)22-20-24(11-17(25)28-3)14-8-7-13(27-2)10-15(14)29-20/h4-10H,11H2,1-3H3/b22-20-
• InChIKey: OVTMBRSDCGUDCD-XDOYNYLZSA-N
• XLogP: 2.58
• TPSA: 87.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?

The IUPAC name of methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate (CID 43941053) is methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate.

What is the SMILES notation for methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?

The canonical SMILES for methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate is COC(=O)Cn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc(OC)ccc21.

What is the InChIKey of methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?

The InChIKey is OVTMBRSDCGUDCD-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-12-18(23-9-5-4-6-16(23)21-12)19(26)22-20-24(11-17(25)28-3)14-8-7-13(27-2)10-15(14)29-20/h4-10H,11H2,1-3H3/b22-20-.

What are the key properties of methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate?

methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate has a molecular weight of 410.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate is sourced from PubChem (CID 43941053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).