N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine

C15H17F3N2S — CID 61332142

IUPACN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1nc(C(C)C)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2S/c1-9(2)12-8-21-14(20-12)13(19-3)10-6-4-5-7-11(10)15(16,17)18/h4-9,13,19H,1-3H3
InChIKeyPQOVYHMQTIPZHO-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.59
Rot. Bonds4

About N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 61332142) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID61332142
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1nc(C(C)C)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2S/c1-9(2)12-8-21-14(20-12)13(19-3)10-6-4-5-7-11(10)15(16,17)18/h4-9,13,19H,1-3H3
InChIKeyPQOVYHMQTIPZHO-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]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-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61330734
N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 61334029
N-methyl-1-(6-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 63555777
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430
N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62543454
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61332525
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62797395
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 61332142) is N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1nc(C(C)C)cs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PQOVYHMQTIPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-9(2)12-8-21-14(20-12)13(19-3)10-6-4-5-7-11(10)15(16,17)18/h4-9,13,19H,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 314.38 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61332142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).