4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol

C21H21F3N2OS — CID 174488145

IUPAC4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol
SMILESCCN(Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(O)c(C)c1
InChIInChI=1S/C21H21F3N2OS/c1-4-26(17-9-10-18(27)13(2)11-17)12-19-14(3)25-20(28-19)15-5-7-16(8-6-15)21(22,23)24/h5-11,27H,4,12H2,1-3H3
InChIKeyWHNMZHHPPQERQC-UHFFFAOYSA-N
MW406.47 g/mol
LogP6.18
Rot. Bonds5

About 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol

4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol (PubChem CID 174488145) has the molecular formula C21H21F3N2OS and a molecular weight of 406.47 g/mol. Its IUPAC name is 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol.

Molecular Properties

Compound Name4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol
PubChem CID174488145
Molecular FormulaC21H21F3N2OS
Molecular Weight406.47 g/mol
Exact Mass406.13
IUPAC Name4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol
SMILESCCN(Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(O)c(C)c1
InChIInChI=1S/C21H21F3N2OS/c1-4-26(17-9-10-18(27)13(2)11-17)12-19-14(3)25-20(28-19)15-5-7-16(8-6-15)21(22,23)24/h5-11,27H,4,12H2,1-3H3
InChIKeyWHNMZHHPPQERQC-UHFFFAOYSA-N
XLogP6.18
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenoxy]acetic acid
CID 11317226
(E)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl-propylamino]phenyl]prop-2-enoic acid
CID 166634931
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
(E)-3-[4-[methyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]phenyl]prop-2-enoic acid
CID 166626265
2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 170892960
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906
N,N-dihydroxy-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]ethanamine
CID 162577797
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethyl-4-(trifluoromethyl)aniline
CID 141180561
methyl 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoate
CID 170883578
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
diethyl 5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzodioxole-2,2-dicarboxylate
CID 141250596

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol?
The IUPAC name of 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol (CID 174488145) is 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol.
What is the SMILES notation for 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol?
The canonical SMILES for 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol is CCN(Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol?
The InChIKey is WHNMZHHPPQERQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2OS/c1-4-26(17-9-10-18(27)13(2)11-17)12-19-14(3)25-20(28-19)15-5-7-16(8-6-15)21(22,23)24/h5-11,27H,4,12H2,1-3H3.
What are the key properties of 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol?
4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol has a molecular weight of 406.47 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenol is sourced from PubChem (CID 174488145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).