2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C12H9F5N2S — CID 106783098

IUPAC2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9F5N2S/c13-7-1-6(2-8(14)4-7)3-9(18)10-5-19-11(20-10)12(15,16)17/h1-2,4-5,9H,3,18H2
InChIKeyNVXUDXVTBWWVIW-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.68
Rot. Bonds3

About 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783098) has the molecular formula C12H9F5N2S and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783098
Molecular FormulaC12H9F5N2S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H9F5N2S/c13-7-1-6(2-8(14)4-7)3-9(18)10-5-19-11(20-10)12(15,16)17/h1-2,4-5,9H,3,18H2
InChIKeyNVXUDXVTBWWVIW-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.68
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-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180
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
1,1,1-trifluoro-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
CID 84588992
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 134793893
1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 134795490
2-(4-Fluorophenyl)-5-phenyl-1,3-thiazole
CID 14063203
2-Methyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 57542055

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783098) is 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(Cc1cc(F)cc(F)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is NVXUDXVTBWWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N2S/c13-7-1-6(2-8(14)4-7)3-9(18)10-5-19-11(20-10)12(15,16)17/h1-2,4-5,9H,3,18H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 308.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).