6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C23H20F3N5O2S3 — CID 25071854

About 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25071854) has the molecular formula C23H20F3N5O2S3 and a molecular weight of 551.64 g/mol. Its IUPAC name is 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 25071854
• Molecular Formula: C23H20F3N5O2S3
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.07
• IUPAC Name: 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: Cc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1
• InChI: InChI=1S/C23H20F3N5O2S3/c1-12-18(30-6-7-35-22(30)28-12)20(32)27-9-16-10-34-11-31(16)21(33)17-19(36-13(2)29-17)14-4-3-5-15(8-14)23(24,25)26/h3-8,16H,9-11H2,1-2H3,(H,27,32)/t16-/m1/s1
• InChIKey: QJLHBAOBRFDKSM-MRXNPFEDSA-N
• XLogP: 5.10
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25071854) is 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2CSC[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1.

What is the InChIKey of 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is QJLHBAOBRFDKSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20F3N5O2S3/c1-12-18(30-6-7-35-22(30)28-12)20(32)27-9-16-10-34-11-31(16)21(33)17-19(36-13(2)29-17)14-4-3-5-15(8-14)23(24,25)26/h3-8,16H,9-11H2,1-2H3,(H,27,32)/t16-/m1/s1.

What are the key properties of 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 551.64 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[[(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25071854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).