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

C23H20F3N5O2S2 — CID 67018231

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

6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67018231) has the molecular formula C23H20F3N5O2S2 and a molecular weight of 519.57 g/mol. Its IUPAC name is 6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 67018231
• Molecular Formula: C23H20F3N5O2S2
• Molecular Weight: 519.57 g/mol
• Exact Mass: 519.10
• IUPAC Name: 6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)c(C(=O)N2CCC2CNC(=O)c2c(C)nc3sccn23)s1
• InChI: InChI=1S/C23H20F3N5O2S2/c1-12-18(31-9-10-34-22(31)28-12)20(32)27-11-16-7-8-30(16)21(33)19-17(29-13(2)35-19)14-3-5-15(6-4-14)23(24,25)26/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,27,32)
• InChIKey: CMRBDUDIZRQKFN-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67018231) is 6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

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

The canonical SMILES for 6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)c(C(=O)N2CCC2CNC(=O)c2c(C)nc3sccn23)s1.

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

The InChIKey is CMRBDUDIZRQKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2S2/c1-12-18(31-9-10-34-22(31)28-12)20(32)27-11-16-7-8-30(16)21(33)19-17(29-13(2)35-19)14-3-5-15(6-4-14)23(24,25)26/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,27,32).

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

6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 519.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[[1-[2-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67018231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).