N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

C11H17F3N2S — CID 106784525

IUPACN-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCNCC(C)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-4-15-5-7(2)8(3)9-6-16-10(17-9)11(12,13)14/h6-8,15H,4-5H2,1-3H3
InChIKeyYUOQDXDQACXMRE-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.51
Rot. Bonds5

About N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine

N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 106784525) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID106784525
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCCNCC(C)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N2S/c1-4-15-5-7(2)8(3)9-6-16-10(17-9)11(12,13)14/h6-8,15H,4-5H2,1-3H3
InChIKeyYUOQDXDQACXMRE-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-Thiazol-5-yl)piperidine dihydrochloride
CID 126810939
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(Piperidin-4-yl)thiazole
CID 82413083
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006361
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
2-Methyl-5-(1,1,1-trifluorobutan-2-yl)-1,3-thiazole;molybdenum
CID 145515244
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine (CID 106784525) is N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is CCNCC(C)C(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is YUOQDXDQACXMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-4-15-5-7(2)8(3)9-6-16-10(17-9)11(12,13)14/h6-8,15H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine?
N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 106784525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).