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

C14H15F3N2S — CID 106784172

IUPACN-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1cnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C14H15F3N2S/c1-18-12(10-5-3-2-4-6-10)8-7-11-9-19-13(20-11)14(15,16)17/h2-6,9,12,18H,7-8H2,1H3
InChIKeyVJAUWQRZWKJOHT-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.06
Rot. Bonds5

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

N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106784172) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106784172
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1cnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C14H15F3N2S/c1-18-12(10-5-3-2-4-6-10)8-7-11-9-19-13(20-11)14(15,16)17/h2-6,9,12,18H,7-8H2,1H3
InChIKeyVJAUWQRZWKJOHT-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
N-methyl-3-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106785082
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
CID 106784203
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 106784073
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 61491100
3-(2,2-difluoroethoxy)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783796
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
2-(3-fluorophenyl)sulfanyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783376

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106784172) is N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CNC(CCc1cnc(C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is VJAUWQRZWKJOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-18-12(10-5-3-2-4-6-10)8-7-11-9-19-13(20-11)14(15,16)17/h2-6,9,12,18H,7-8H2,1H3.
What are the key properties of N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 300.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106784172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).