3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C11H14F6N2S — CID 173218581

IUPAC3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(CCC(F)(F)F)Cc1scnc1C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-2-4-19(5-3-10(12,13)14)6-8-9(11(15,16)17)18-7-20-8/h7H,2-6H2,1H3
InChIKeyNDRTVBLPPQXFMD-UHFFFAOYSA-N
MW320.30 g/mol
LogP4.33
Rot. Bonds6

About 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 173218581) has the molecular formula C11H14F6N2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID173218581
Molecular FormulaC11H14F6N2S
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(CCC(F)(F)F)Cc1scnc1C(F)(F)F
InChIInChI=1S/C11H14F6N2S/c1-2-4-19(5-3-10(12,13)14)6-8-9(11(15,16)17)18-7-20-8/h7H,2-6H2,1H3
InChIKeyNDRTVBLPPQXFMD-UHFFFAOYSA-N
XLogP4.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 173218581) is 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCN(CCC(F)(F)F)Cc1scnc1C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is NDRTVBLPPQXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N2S/c1-2-4-19(5-3-10(12,13)14)6-8-9(11(15,16)17)18-7-20-8/h7H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 320.30 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propyl-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 173218581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).