N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide

C24H25BrF3N3OS — CID 90185212

About N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide

N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide (PubChem CID 90185212) has the molecular formula C24H25BrF3N3OS and a molecular weight of 540.45 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide.

Molecular Properties

• Compound Name: N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide
• PubChem CID: 90185212
• Molecular Formula: C24H25BrF3N3OS
• Molecular Weight: 540.45 g/mol
• Exact Mass: 539.09
• IUPAC Name: N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide
• SMILES: Br.CCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)c3ccc(C(F)(F)F)cc3)cs2)cc1C
• InChI: InChI=1S/C24H24F3N3OS.BrH/c1-5-30(4)14-28-20-11-15(2)18(10-16(20)3)12-22-29-21(13-32-22)23(31)17-6-8-19(9-7-17)24(25,26)27;/h6-11,13-14H,5,12H2,1-4H3;1H/b28-14+
• InChIKey: ICRSGLMTZZIUCP-KVQMOARXSA-N
• XLogP: 6.79
• TPSA: 45.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.45
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide?

The IUPAC name of N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide (CID 90185212) is N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide.

What is the SMILES notation for N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide?

The canonical SMILES for N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide is Br.CCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)c3ccc(C(F)(F)F)cc3)cs2)cc1C.

What is the InChIKey of N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide?

The InChIKey is ICRSGLMTZZIUCP-KVQMOARXSA-N. The full InChI is InChI=1S/C24H24F3N3OS.BrH/c1-5-30(4)14-28-20-11-15(2)18(10-16(20)3)12-22-29-21(13-32-22)23(31)17-6-8-19(9-7-17)24(25,26)27;/h6-11,13-14H,5,12H2,1-4H3;1H/b28-14+;.

What are the key properties of N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide?

N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide has a molecular weight of 540.45 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide;hydrobromide is sourced from PubChem (CID 90185212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).