3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C23H18ClFN4O2S — CID 27453357

About 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 27453357) has the molecular formula C23H18ClFN4O2S and a molecular weight of 468.94 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 27453357
• Molecular Formula: C23H18ClFN4O2S
• Molecular Weight: 468.94 g/mol
• Exact Mass: 468.08
• IUPAC Name: 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1c(-c2ccc(F)cc2)nc2n1CCS2
• InChI: InChI=1S/C23H18ClFN4O2S/c1-13-19(21(28-31-13)16-4-2-3-5-17(16)24)22(30)26-12-18-20(14-6-8-15(25)9-7-14)27-23-29(18)10-11-32-23/h2-9H,10-12H2,1H3,(H,26,30)
• InChIKey: QRUQJAXEYALALB-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.94
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 27453357) is 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1c(-c2ccc(F)cc2)nc2n1CCS2.

What is the InChIKey of 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

The InChIKey is QRUQJAXEYALALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2S/c1-13-19(21(28-31-13)16-4-2-3-5-17(16)24)22(30)26-12-18-20(14-6-8-15(25)9-7-14)27-23-29(18)10-11-32-23/h2-9H,10-12H2,1H3,(H,26,30).

What are the key properties of 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?

3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 27453357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).