N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

C13H13F3N2S — CID 134793893

IUPACN-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1cncs1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-18(8-11-6-17-9-19-11)7-10-4-2-3-5-12(10)13(14,15)16/h2-6,9H,7-8H2,1H3
InChIKeyRDNTVZYDQMMIQM-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.79
Rot. Bonds4

About N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 134793893) 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-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID134793893
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCN(Cc1cncs1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-18(8-11-6-17-9-19-11)7-10-4-2-3-5-12(10)13(14,15)16/h2-6,9H,7-8H2,1H3
InChIKeyRDNTVZYDQMMIQM-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

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
5-Phenylthiazole
CID 595209
N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190306
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
5-(1H-inden-1-ylmethyl)-1,3-thiazole
CID 42628292
1-Benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1479744
Dimethyl-[2-(5-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374227
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 118190177
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190225
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190298
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 118190302

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 134793893) is N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is CN(Cc1cncs1)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RDNTVZYDQMMIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-18(8-11-6-17-9-19-11)7-10-4-2-3-5-12(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-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(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-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 134793893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).