N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline

C12H11F3N2S — CID 55170334

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ncsc1CNc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c1-8-11(18-7-17-8)6-16-10-5-3-2-4-9(10)12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyVMKIDXWBJUWJJW-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.08
Rot. Bonds3

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 55170334) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID55170334
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ncsc1CNc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2S/c1-8-11(18-7-17-8)6-16-10-5-3-2-4-9(10)12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyVMKIDXWBJUWJJW-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline 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

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 62071321
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 75356106
N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 55203857
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 131917349
N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110858418
2-amino-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 104716748
1-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 99824551
2-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
CID 63280783
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863
6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771943
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312935
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline (CID 55170334) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline is Cc1ncsc1CNc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is VMKIDXWBJUWJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-8-11(18-7-17-8)6-16-10-5-3-2-4-9(10)12(13,14)15/h2-5,7,16H,6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 272.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 55170334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).