5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 55117891

IUPAC5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C12H20F3N3S/c1-5-16-6-10-9(4)17-11(19-10)18(8(2)3)7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyZBQJDUHBEGPKON-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.34
Rot. Bonds6

About 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55117891) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55117891
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C12H20F3N3S/c1-5-16-6-10-9(4)17-11(19-10)18(8(2)3)7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyZBQJDUHBEGPKON-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

1-[(2S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 137955827
1-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100177
4-Methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
CID 21100178
1-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine
CID 21100189
5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87536124
4-Methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine
CID 87904346
N-ethyl-5-[1-(ethylamino)ethyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112448
N-cyclopropyl-4-methyl-5-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112495
5-(1-aminoethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55113714
5-(ethylaminomethyl)-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117367
N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117368
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117415

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55117891) is 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is ZBQJDUHBEGPKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-5-16-6-10-9(4)17-11(19-10)18(8(2)3)7-12(13,14)15/h8,16H,5-7H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).