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

C19H26F3N3OS — CID 18672276

IUPAC5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F
InChIInChI=1S/C19H26F3N3OS/c1-6-25(7-8-26-5)11-15-17(19(20,21)22)24-18(27-15)23-16-13(3)9-12(2)10-14(16)4/h9-10H,6-8,11H2,1-5H3,(H,23,24)
InChIKeyLPXCOUJDAIGZMB-UHFFFAOYSA-N
MW401.50 g/mol
LogP5.30
Rot. Bonds8

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

5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 18672276) has the molecular formula C19H26F3N3OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID18672276
Molecular FormulaC19H26F3N3OS
Molecular Weight401.50 g/mol
Exact Mass401.17
IUPAC Name5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F
InChIInChI=1S/C19H26F3N3OS/c1-6-25(7-8-26-5)11-15-17(19(20,21)22)24-18(27-15)23-16-13(3)9-12(2)10-14(16)4/h9-10H,6-8,11H2,1-5H3,(H,23,24)
InChIKeyLPXCOUJDAIGZMB-UHFFFAOYSA-N
XLogP5.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 18672276) is 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is CCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2C)nc1C(F)(F)F.
What is the InChIKey of 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LPXCOUJDAIGZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3OS/c1-6-25(7-8-26-5)11-15-17(19(20,21)22)24-18(27-15)23-16-13(3)9-12(2)10-14(16)4/h9-10H,6-8,11H2,1-5H3,(H,23,24).
What are the key properties of 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 401.50 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18672276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).