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

C11H14F6N2S — CID 103312166

IUPAC4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCCNC(Cc1nccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-2-3-18-7(6-8-19-4-5-20-8)9(10(12,13)14)11(15,16)17/h4-5,7,9,18H,2-3,6H2,1H3
InChIKeySTRQMGQRRKLTRQ-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.79
Rot. Bonds6

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

4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312166) has the molecular formula C11H14F6N2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103312166
Molecular FormulaC11H14F6N2S
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCCNC(Cc1nccs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-2-3-18-7(6-8-19-4-5-20-8)9(10(12,13)14)11(15,16)17/h4-5,7,9,18H,2-3,6H2,1H3
InChIKeySTRQMGQRRKLTRQ-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-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

3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894
3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824834
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015268
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825132
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103311806
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine (CID 103312166) is 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine is CCCNC(Cc1nccs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is STRQMGQRRKLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N2S/c1-2-3-18-7(6-8-19-4-5-20-8)9(10(12,13)14)11(15,16)17/h4-5,7,9,18H,2-3,6H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine has a molecular weight of 320.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).