5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine

C13H22F3N3S — CID 105174391

IUPAC5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1snnc1C(C)C
InChIInChI=1S/C13H22F3N3S/c1-4-8-17-10(6-5-7-13(14,15)16)12-11(9(2)3)18-19-20-12/h9-10,17H,4-8H2,1-3H3
InChIKeyVGWSGGRDBOOOCY-UHFFFAOYSA-N
MW309.40 g/mol
LogP4.43
Rot. Bonds8

About 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine (PubChem CID 105174391) has the molecular formula C13H22F3N3S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
PubChem CID105174391
Molecular FormulaC13H22F3N3S
Molecular Weight309.40 g/mol
Exact Mass309.15
IUPAC Name5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1snnc1C(C)C
InChIInChI=1S/C13H22F3N3S/c1-4-8-17-10(6-5-7-13(14,15)16)12-11(9(2)3)18-19-20-12/h9-10,17H,4-8H2,1-3H3
InChIKeyVGWSGGRDBOOOCY-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine (CID 105174391) is 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1snnc1C(C)C.
What is the InChIKey of 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
The InChIKey is VGWSGGRDBOOOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3S/c1-4-8-17-10(6-5-7-13(14,15)16)12-11(9(2)3)18-19-20-12/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine has a molecular weight of 309.40 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105174391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).