N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

C8H11F3N2S — CID 60983252

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1ncc(CNCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-2-7-13-4-6(14-7)3-12-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyXOCNNMFFWUAEKN-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 60983252) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID60983252
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1ncc(CNCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-2-7-13-4-6(14-7)3-12-5-8(9,10)11/h4,12H,2-3,5H2,1H3
InChIKeyXOCNNMFFWUAEKN-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
Methyl(1,3-thiazol-5-ylmethyl)amine
CID 45121664
(2-Ethyl-1,3-thiazol-5-yl)methanamine
CID 60983127
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 54592953

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (CID 60983252) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is CCc1ncc(CNCC(F)(F)F)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is XOCNNMFFWUAEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-2-7-13-4-6(14-7)3-12-5-8(9,10)11/h4,12H,2-3,5H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 60983252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).