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

C15H17F3N2S — CID 115091428

IUPACN-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2S/c1-19-7-3-6-13-10-20-14(21-13)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,10,19H,3,6-7,9H2,1H3
InChIKeyCAVBGAVWGQIPBA-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.90
Rot. Bonds6

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

N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115091428) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115091428
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2S/c1-19-7-3-6-13-10-20-14(21-13)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,10,19H,3,6-7,9H2,1H3
InChIKeyCAVBGAVWGQIPBA-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091957
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60981806
3-[3-(1,1-difluoroethyl)phenyl]-N-methylpropan-1-amine
CID 116992431
N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115087182
N-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-1-amine
CID 117195746
2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 115091633
3-[3-(1,1-difluoro-2-methylpropyl)phenyl]-N-methylpropan-1-amine
CID 116992650
2-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 51328951
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine (CID 115091428) is N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine is CNCCCc1cnc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is CAVBGAVWGQIPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-19-7-3-6-13-10-20-14(21-13)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,10,19H,3,6-7,9H2,1H3.
What are the key properties of N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine?
N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 314.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115091428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).