N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine

C11H14F6N2S — CID 103312071

IUPACN-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1csc(C)n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-3-18-8(4-7-5-20-6(2)19-7)9(10(12,13)14)11(15,16)17/h5,8-9,18H,3-4H2,1-2H3
InChIKeyPMNVBFZOZKDRKR-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.71
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine

N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312071) has the molecular formula C11H14F6N2S and a molecular weight of 320.30 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103312071
Molecular FormulaC11H14F6N2S
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1csc(C)n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-3-18-8(4-7-5-20-6(2)19-7)9(10(12,13)14)11(15,16)17/h5,8-9,18H,3-4H2,1-2H3
InChIKeyPMNVBFZOZKDRKR-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine with MolForge

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Related Compounds

[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 104997067
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997064
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
[3-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105214739
1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997094
[3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105316246
N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 104996898
1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82922517
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine (CID 103312071) is N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine is CCNC(Cc1csc(C)n1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is PMNVBFZOZKDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N2S/c1-3-18-8(4-7-5-20-6(2)19-7)9(10(12,13)14)11(15,16)17/h5,8-9,18H,3-4H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine has a molecular weight of 320.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).