1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

C14H24F3N3S — CID 105174389

IUPAC1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1snnc1C(C)(C)C
InChIInChI=1S/C14H24F3N3S/c1-5-9-18-10(7-6-8-14(15,16)17)11-12(13(2,3)4)19-20-21-11/h10,18H,5-9H2,1-4H3
InChIKeyQRHYPSVPWWATEU-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.61
Rot. Bonds7

About 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 105174389) has the molecular formula C14H24F3N3S and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID105174389
Molecular FormulaC14H24F3N3S
Molecular Weight323.43 g/mol
Exact Mass323.16
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1snnc1C(C)(C)C
InChIInChI=1S/C14H24F3N3S/c1-5-9-18-10(7-6-8-14(15,16)17)11-12(13(2,3)4)19-20-21-11/h10,18H,5-9H2,1-4H3
InChIKeyQRHYPSVPWWATEU-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 105174389) is 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is QRHYPSVPWWATEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3S/c1-5-9-18-10(7-6-8-14(15,16)17)11-12(13(2,3)4)19-20-21-11/h10,18H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 323.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 105174389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).