3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C22H18N2O2S — CID 82035233

About 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035233) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
• PubChem CID: 82035233
• Molecular Formula: C22H18N2O2S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.11
• IUPAC Name: 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
• SMILES: O=C(O)c1sc2nc(-c3ccc4c(c3)CCCC4)cn2c1-c1ccccc1
• InChI: InChI=1S/C22H18N2O2S/c25-21(26)20-19(15-7-2-1-3-8-15)24-13-18(23-22(24)27-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-3,7-8,10-13H,4-6,9H2,(H,25,26)
• InChIKey: XIRROVWVSIVASQ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 54.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

The IUPAC name of 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035233) is 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

What is the SMILES notation for 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

The canonical SMILES for 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is O=C(O)c1sc2nc(-c3ccc4c(c3)CCCC4)cn2c1-c1ccccc1.

What is the InChIKey of 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

The InChIKey is XIRROVWVSIVASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-21(26)20-19(15-7-2-1-3-8-15)24-13-18(23-22(24)27-20)17-11-10-14-6-4-5-9-16(14)12-17/h1-3,7-8,10-13H,4-6,9H2,(H,25,26).

What are the key properties of 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?

3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 374.47 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).