4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine

C11H14F6N2S — CID 103312252

IUPAC4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCCNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-2-3-19-8(4-7-5-18-6-20-7)9(10(12,13)14)11(15,16)17/h5-6,8-9,19H,2-4H2,1H3
InChIKeyPEESGCSEEOIOJD-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.79
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine

4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312252) 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-5-yl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103312252
Molecular FormulaC11H14F6N2S
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine
SMILESCCCNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-2-3-19-8(4-7-5-18-6-20-7)9(10(12,13)14)11(15,16)17/h5-6,8-9,19H,2-4H2,1H3
InChIKeyPEESGCSEEOIOJD-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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine (CID 103312252) is 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine is CCCNC(Cc1cncs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is PEESGCSEEOIOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N2S/c1-2-3-19-8(4-7-5-18-6-20-7)9(10(12,13)14)11(15,16)17/h5-6,8-9,19H,2-4H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-5-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-5-yl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).