2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine

C13H22F3N3S — CID 106783429

IUPAC2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine
SMILESCCC(CC)(C(NC)c1cnc(C(F)(F)F)s1)N(C)C
InChIInChI=1S/C13H22F3N3S/c1-6-12(7-2,19(4)5)10(17-3)9-8-18-11(20-9)13(14,15)16/h8,10,17H,6-7H2,1-5H3
InChIKeyBALJGCFDVLUCAZ-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.54
Rot. Bonds6

About 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine

2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine (PubChem CID 106783429) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine
PubChem CID106783429
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine
SMILESCCC(CC)(C(NC)c1cnc(C(F)(F)F)s1)N(C)C
InChIInChI=1S/C13H22F3N3S/c1-6-12(7-2,19(4)5)10(17-3)9-8-18-11(20-9)13(14,15)16/h8,10,17H,6-7H2,1-5H3
InChIKeyBALJGCFDVLUCAZ-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
N,2-dimethyl-3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 114222091
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
[2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propyl]hydrazine
CID 106787056
N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783344
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
N-methyl-1-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783534
2-cycloheptyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785844

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine (CID 106783429) is 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine is CCC(CC)(C(NC)c1cnc(C(F)(F)F)s1)N(C)C.
What is the InChIKey of 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine?
The InChIKey is BALJGCFDVLUCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-6-12(7-2,19(4)5)10(17-3)9-8-18-11(20-9)13(14,15)16/h8,10,17H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine?
2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine has a molecular weight of 309.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N,2-N,2-N-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diamine is sourced from PubChem (CID 106783429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).