N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine

C13H13F3N2OS — CID 105145906

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1scnc1C
InChIInChI=1S/C13H13F3N2OS/c1-8-12(20-7-18-8)11(17-2)9-4-3-5-10(6-9)19-13(14,15)16/h3-7,11,17H,1-2H3
InChIKeyQQOWFDGCQCDILJ-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.66
Rot. Bonds4

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

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 105145906) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID105145906
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1scnc1C
InChIInChI=1S/C13H13F3N2OS/c1-8-12(20-7-18-8)11(17-2)9-4-3-5-10(6-9)19-13(14,15)16/h3-7,11,17H,1-2H3
InChIKeyQQOWFDGCQCDILJ-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropyloxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105188667
1-(3-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105171257
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916892
1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 103444046
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
1-(2-bromofuran-3-yl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 106857562
1-(3-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863728
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709911
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 116761004
N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 105145817

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 105145906) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine is CNC(c1cccc(OC(F)(F)F)c1)c1scnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is QQOWFDGCQCDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-8-12(20-7-18-8)11(17-2)9-4-3-5-10(6-9)19-13(14,15)16/h3-7,11,17H,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 302.32 g/mol, XLogP of 3.66, 4 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-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 105145906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).