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

C8H12F3N3S — CID 62750009

IUPAC5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(CN)s1
InChIInChI=1S/C8H12F3N3S/c1-2-14(5-8(9,10)11)7-13-4-6(3-12)15-7/h4H,2-3,5,12H2,1H3
InChIKeyVEKPORCBWXZDKY-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.99
Rot. Bonds4

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

5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62750009) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62750009
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCN(CC(F)(F)F)c1ncc(CN)s1
InChIInChI=1S/C8H12F3N3S/c1-2-14(5-8(9,10)11)7-13-4-6(3-12)15-7/h4H,2-3,5,12H2,1H3
InChIKeyVEKPORCBWXZDKY-UHFFFAOYSA-N
XLogP1.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiazolamine, N-methyl-5-(trifluoromethyl)-
CID 11074029
5-(Aminomethyl)-1,3-thiazol-2-amine dihydrochloride
CID 87309190
5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
5-Methyl-2-(piperazin-1-yl)thiazole
CID 21100190
N,5-dimethylthiazol-2-amine
CID 817028
N,5-dimethyl-1,3-thiazol-2-amine hydrochloride
CID 137971635
2-(diethylamino)-N-[tris(dimethylamino)-lambda5-phosphanylidene]-1,3-thiazole-5-carbothioamide
CID 5112064
5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine
CID 91253883
4,4-Difluoro-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidine
CID 77091277
(3S)-N,N-diethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 164637805
[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
CID 15925069
1,3-Dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 19044103

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62750009) is 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCN(CC(F)(F)F)c1ncc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is VEKPORCBWXZDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-2-14(5-8(9,10)11)7-13-4-6(3-12)15-7/h4H,2-3,5,12H2,1H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).