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

C13H13F3N2S — CID 106783089

IUPAC3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNC(CCc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c14-13(15,16)12-18-8-11(19-12)10(17)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,17H2
InChIKeyKYFJRGRTUZRDPS-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.79
Rot. Bonds4

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

3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106783089) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106783089
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNC(CCc1ccccc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c14-13(15,16)12-18-8-11(19-12)10(17)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,17H2
InChIKeyKYFJRGRTUZRDPS-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-{[4-(Trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine
CID 16228111
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
US10626095, Example 112
CID 168489743
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
[5-(3-Phenylphenyl)-1,3-thiazol-2-yl]methanamine
CID 155557978
5-(3-Trifluoromethyl-benzyl)-thiazol-2-ylamine
CID 692067
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
5-Phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 123793649
4-(1,3-Thiazol-5-yl)aniline
CID 11298271
Benzyl[(1,3-thiazol-5-yl)methyl]amine
CID 21710584
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106783089) is 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is NC(CCc1ccccc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is KYFJRGRTUZRDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c14-13(15,16)12-18-8-11(19-12)10(17)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,17H2.
What are the key properties of 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 286.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106783089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).