5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C20H28F3N3O2S — CID 18672250

IUPAC5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCOCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F
InChIInChI=1S/C20H28F3N3O2S/c1-13-10-14(2)17(15(3)11-13)24-19-25-18(20(21,22)23)16(29-19)12-26(6-8-27-4)7-9-28-5/h10-11H,6-9,12H2,1-5H3,(H,24,25)
InChIKeyFCNJMWYGGPJRMU-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.93
Rot. Bonds10

About 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 18672250) has the molecular formula C20H28F3N3O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID18672250
Molecular FormulaC20H28F3N3O2S
Molecular Weight431.52 g/mol
Exact Mass431.19
IUPAC Name5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCOCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F
InChIInChI=1S/C20H28F3N3O2S/c1-13-10-14(2)17(15(3)11-13)24-19-25-18(20(21,22)23)16(29-19)12-26(6-8-27-4)7-9-28-5/h10-11H,6-9,12H2,1-5H3,(H,24,25)
InChIKeyFCNJMWYGGPJRMU-UHFFFAOYSA-N
XLogP4.93
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

{5-[(Cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trimethyl-phenyl)-amine
CID 44352448
3-(3-methoxypropyl)-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-3-ium-2-amine iodide
CID 2725176
(4,5-Dimethyl-Thiazol-2-Yl)-(2,4,6-Trimethyl-Phenyl)-Amine
CID 71561950
3-(3-methoxypropyl)-4-methyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-3-ium-2-amine
CID 2725177
{5-[(Cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,6-diethyl-phenyl)-amine
CID 44352349
N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 18672254
5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 18672257
5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 18672276
5-[(dipropylamino)methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 88016363
N-(2-chloro-4,6-dimethylphenyl)-5-[(dipropylamino)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 88016581
4-[4-Morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118641266
4-[3-Fluoro-5-(trifluoromethyl)phenyl]-5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 129016342

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 18672250) is 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is COCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F.
What is the InChIKey of 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FCNJMWYGGPJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2S/c1-13-10-14(2)17(15(3)11-13)24-19-25-18(20(21,22)23)16(29-19)12-26(6-8-27-4)7-9-28-5/h10-11H,6-9,12H2,1-5H3,(H,24,25).
What are the key properties of 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 431.52 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18672250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).