ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

C8H13F3N2S — CID 176995472

IUPACethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCC.CNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S.C2H6/c1-10-2-5-11-4(3-12-5)6(7,8)9;1-2/h3,10H,2H2,1H3;1-2H3
InChIKeyLEDUYIGYPJCCFN-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.91
Rot. Bonds2

About ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 176995472) has the molecular formula C8H13F3N2S and a molecular weight of 226.27 g/mol. Its IUPAC name is ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID176995472
Molecular FormulaC8H13F3N2S
Molecular Weight226.27 g/mol
Exact Mass226.08
IUPAC Nameethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCC.CNCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H7F3N2S.C2H6/c1-10-2-5-11-4(3-12-5)6(7,8)9;1-2/h3,10H,2H2,1H3;1-2H3
InChIKeyLEDUYIGYPJCCFN-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
CID 3353222
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
(4-(Trifluoromethyl)-1,3-thiazol-2-yl)methanamine
CID 3908018
2-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-amine
CID 4033439
Methyl(2-(4-methyl-1,3-thiazol-2-yl)ethyl)amine
CID 4407731
1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
CID 11622565
1-(2-Methyl-1,3-Thiazol-4-Yl)Methanamine Dihydrochloride
CID 45595358

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 176995472) is ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is CC.CNCc1nc(C(F)(F)F)cs1.
What is the InChIKey of ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is LEDUYIGYPJCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S.C2H6/c1-10-2-5-11-4(3-12-5)6(7,8)9;1-2/h3,10H,2H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 226.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 176995472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).