N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C12H12F3N3S — CID 102709911

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)c1scnc1C
InChIInChI=1S/C12H12F3N3S/c1-7-11(19-6-18-7)10(16-2)8-5-17-4-3-9(8)12(13,14)15/h3-6,10,16H,1-2H3
InChIKeyNNUNPMNNHTYTSJ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.17
Rot. Bonds3

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

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102709911) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102709911
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)c1scnc1C
InChIInChI=1S/C12H12F3N3S/c1-7-11(19-6-18-7)10(16-2)8-5-17-4-3-9(8)12(13,14)15/h3-6,10,16H,1-2H3
InChIKeyNNUNPMNNHTYTSJ-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine 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-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708387
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
1-(2,6-dichlorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709752
(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145408
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-1-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708231
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708195
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-quinolin-8-ylmethanamine
CID 105172558

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102709911) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CNC(c1cnccc1C(F)(F)F)c1scnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is NNUNPMNNHTYTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-7-11(19-6-18-7)10(16-2)8-5-17-4-3-9(8)12(13,14)15/h3-6,10,16H,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 287.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102709911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).