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

C24H24F3N3OS — CID 71250685

IUPACN'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)c3ccc(C(F)(F)F)cc3)cs2)cc1C
InChIInChI=1S/C24H24F3N3OS/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/b28-14+
InChIKeyBOVSWXDQXWHLEZ-CCVNUDIWSA-N
MW459.54 g/mol
LogP6.21
Rot. Bonds7

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

N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 71250685) has the molecular formula C24H24F3N3OS and a molecular weight of 459.54 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.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID71250685
Molecular FormulaC24H24F3N3OS
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC NameN'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(C(=O)c3ccc(C(F)(F)F)cc3)cs2)cc1C
InChIInChI=1S/C24H24F3N3OS/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/b28-14+
InChIKeyBOVSWXDQXWHLEZ-CCVNUDIWSA-N
XLogP6.21
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 71250685) is N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide.
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?
The canonical SMILES for N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide is 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?
The InChIKey is BOVSWXDQXWHLEZ-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H24F3N3OS/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/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?
N'-[2,5-dimethyl-4-[[4-[4-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 459.54 g/mol, XLogP of 6.21, 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 is sourced from PubChem (CID 71250685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).