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

C15H17F3N2S — CID 106783010

IUPACN-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H17F3N2S/c1-2-8-19-12(9-11-6-4-3-5-7-11)13-10-20-14(21-13)15(16,17)18/h3-7,10,12,19H,2,8-9H2,1H3
InChIKeyQDXDMRGCYXHDNU-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.45
Rot. Bonds6

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

N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106783010) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106783010
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H17F3N2S/c1-2-8-19-12(9-11-6-4-3-5-7-11)13-10-20-14(21-13)15(16,17)18/h3-7,10,12,19H,2,8-9H2,1H3
InChIKeyQDXDMRGCYXHDNU-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
CID 75382636
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190225
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190298
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190495
N-[(4-fluorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190500
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 123793649
N-tert-butyl-4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carboxamide
CID 56665856

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106783010) is N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is QDXDMRGCYXHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-2-8-19-12(9-11-6-4-3-5-7-11)13-10-20-14(21-13)15(16,17)18/h3-7,10,12,19H,2,8-9H2,1H3.
What are the key properties of N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 314.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106783010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).