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

C18H23ClF3N3OS — CID 18672254

IUPACN-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C18H23ClF3N3OS/c1-5-25(6-7-26-4)10-14-16(18(20,21)22)24-17(27-14)23-15-12(3)8-11(2)9-13(15)19/h8-9H,5-7,10H2,1-4H3,(H,23,24)
InChIKeyYYXRDWTULNWILU-UHFFFAOYSA-N
MW421.92 g/mol
LogP5.64
Rot. Bonds8

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

N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 18672254) has the molecular formula C18H23ClF3N3OS and a molecular weight of 421.92 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID18672254
Molecular FormulaC18H23ClF3N3OS
Molecular Weight421.92 g/mol
Exact Mass421.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C18H23ClF3N3OS/c1-5-25(6-7-26-4)10-14-16(18(20,21)22)24-17(27-14)23-15-12(3)8-11(2)9-13(15)19/h8-9H,5-7,10H2,1-4H3,(H,23,24)
InChIKeyYYXRDWTULNWILU-UHFFFAOYSA-N
XLogP5.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 18672254) is N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CCN(CCOC)Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is YYXRDWTULNWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF3N3OS/c1-5-25(6-7-26-4)10-14-16(18(20,21)22)24-17(27-14)23-15-12(3)8-11(2)9-13(15)19/h8-9H,5-7,10H2,1-4H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 421.92 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5-[[ethyl(2-methoxyethyl)amino]methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 18672254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).