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

C12H11F3N2OS — CID 61331512

IUPACN-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C12H11F3N2OS/c1-16-10(11-17-6-7-19-11)8-2-4-9(5-3-8)18-12(13,14)15/h2-7,10,16H,1H3
InChIKeyNVXFZPDESRRAPB-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.35
Rot. Bonds4

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

N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 61331512) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID61331512
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C12H11F3N2OS/c1-16-10(11-17-6-7-19-11)8-2-4-9(5-3-8)18-12(13,14)15/h2-7,10,16H,1H3
InChIKeyNVXFZPDESRRAPB-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 61331510
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 79980474
N-methyl-1-naphthalen-2-yl-1-(1,3-thiazol-2-yl)methanamine
CID 61330720
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 115827761
2-[2-(1,3-thiazol-2-yl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110032784
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62540693
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628654
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 116628886

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 61331512) is N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine is CNC(c1ccc(OC(F)(F)F)cc1)c1nccs1.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is NVXFZPDESRRAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-16-10(11-17-6-7-19-11)8-2-4-9(5-3-8)18-12(13,14)15/h2-7,10,16H,1H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 288.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 61331512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).