N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C13H14F3N3S — CID 106785082

IUPACN-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1ccncc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H14F3N3S/c1-17-10(3-2-9-4-6-18-7-5-9)11-8-19-12(20-11)13(14,15)16/h4-8,10,17H,2-3H2,1H3
InChIKeyHYKCTNBXPLHSPG-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.45
Rot. Bonds5

About N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106785082) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106785082
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1ccncc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H14F3N3S/c1-17-10(3-2-9-4-6-18-7-5-9)11-8-19-12(20-11)13(14,15)16/h4-8,10,17H,2-3H2,1H3
InChIKeyHYKCTNBXPLHSPG-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106784172
N-methyl-1-pyrazin-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783069
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
2-cycloheptyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785844
2-(2,5-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785616
1-(3-chloro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786237
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067
2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783376
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106785082) is N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CNC(CCc1ccncc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is HYKCTNBXPLHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-17-10(3-2-9-4-6-18-7-5-9)11-8-19-12(20-11)13(14,15)16/h4-8,10,17H,2-3H2,1H3.
What are the key properties of N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 301.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106785082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).