methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate

C23H21N3O4S — CID 30939611

About methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate

methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate (PubChem CID 30939611) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate.

Molecular Properties

• Compound Name: methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate
• PubChem CID: 30939611
• Molecular Formula: C23H21N3O4S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.13
• IUPAC Name: methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate
• SMILES: COC(=O)c1ccccc1NC(=O)CCc1csc2nc(-c3ccc(OC)cc3)cn12
• InChI: InChI=1S/C23H21N3O4S/c1-29-17-10-7-15(8-11-17)20-13-26-16(14-31-23(26)25-20)9-12-21(27)24-19-6-4-3-5-18(19)22(28)30-2/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,24,27)
• InChIKey: QJRLKHPEPPZLEZ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate?

The IUPAC name of methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate (CID 30939611) is methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate.

What is the SMILES notation for methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate?

The canonical SMILES for methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1csc2nc(-c3ccc(OC)cc3)cn12.

What is the InChIKey of methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate?

The InChIKey is QJRLKHPEPPZLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-29-17-10-7-15(8-11-17)20-13-26-16(14-31-23(26)25-20)9-12-21(27)24-19-6-4-3-5-18(19)22(28)30-2/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,24,27).

What are the key properties of methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate?

methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate has a molecular weight of 435.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoylamino]benzoate is sourced from PubChem (CID 30939611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).