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

C19H25ClF3N3O2S — CID 18672257

IUPAC5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C19H25ClF3N3O2S/c1-12-9-13(2)16(14(20)10-12)24-18-25-17(19(21,22)23)15(29-18)11-26(5-7-27-3)6-8-28-4/h9-10H,5-8,11H2,1-4H3,(H,24,25)
InChIKeyMSENQCYAEPKQEP-UHFFFAOYSA-N
MW451.94 g/mol
LogP5.27
Rot. Bonds10

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

5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 18672257) has the molecular formula C19H25ClF3N3O2S and a molecular weight of 451.94 g/mol. Its IUPAC name is 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID18672257
Molecular FormulaC19H25ClF3N3O2S
Molecular Weight451.94 g/mol
Exact Mass451.13
IUPAC Name5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C19H25ClF3N3O2S/c1-12-9-13(2)16(14(20)10-12)24-18-25-17(19(21,22)23)15(29-18)11-26(5-7-27-3)6-8-28-4/h9-10H,5-8,11H2,1-4H3,(H,24,25)
InChIKeyMSENQCYAEPKQEP-UHFFFAOYSA-N
XLogP5.27
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.94
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 18672257) is 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is COCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F.
What is the InChIKey of 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is MSENQCYAEPKQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClF3N3O2S/c1-12-9-13(2)16(14(20)10-12)24-18-25-17(19(21,22)23)15(29-18)11-26(5-7-27-3)6-8-28-4/h9-10H,5-8,11H2,1-4H3,(H,24,25).
What are the key properties of 5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-[[bis(2-methoxyethyl)amino]methyl]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 451.94 g/mol, XLogP of 5.27, 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]-N-(2-chloro-4,6-dimethylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18672257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).