N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine

C13H13F3N2S — CID 134793971

IUPACN-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1cccc(C(F)(F)F)c1)Cc1cncs1
InChIInChI=1S/C13H13F3N2S/c1-18(8-12-6-17-9-19-12)7-10-3-2-4-11(5-10)13(14,15)16/h2-6,9H,7-8H2,1H3
InChIKeyQVSKIQUNDSAUDD-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.79
Rot. Bonds4

About N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine

N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 134793971) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID134793971
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1cccc(C(F)(F)F)c1)Cc1cncs1
InChIInChI=1S/C13H13F3N2S/c1-18(8-12-6-17-9-19-12)7-10-3-2-4-11(5-10)13(14,15)16/h2-6,9H,7-8H2,1H3
InChIKeyQVSKIQUNDSAUDD-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine (CID 134793971) is N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is CN(Cc1cccc(C(F)(F)F)c1)Cc1cncs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QVSKIQUNDSAUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-18(8-12-6-17-9-19-12)7-10-3-2-4-11(5-10)13(14,15)16/h2-6,9H,7-8H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 286.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 134793971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).