5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H20F3N3S — CID 62769416

IUPAC5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C12H20F3N3S/c1-5-18(7-12(13,14)15)10-17-9(11(2,3)4)8(6-16)19-10/h5-7,16H2,1-4H3
InChIKeyPLODCCYJXYPUBJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.29
Rot. Bonds4

About 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62769416) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62769416
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C12H20F3N3S/c1-5-18(7-12(13,14)15)10-17-9(11(2,3)4)8(6-16)19-10/h5-7,16H2,1-4H3
InChIKeyPLODCCYJXYPUBJ-UHFFFAOYSA-N
XLogP3.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768020
5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62768860
5-(aminomethyl)-4-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768024
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
CID 62768652
5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79488830
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62769108
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62768709
4-tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764090
5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767508
[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol
CID 102998063
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62766259
5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766697

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62769416) is 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is PLODCCYJXYPUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-5-18(7-12(13,14)15)10-17-9(11(2,3)4)8(6-16)19-10/h5-7,16H2,1-4H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 295.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62769416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).