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

C12H20F3N3S — CID 105174384

IUPACN-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1snnc1C(C)C
InChIInChI=1S/C12H20F3N3S/c1-4-16-9(6-5-7-12(13,14)15)11-10(8(2)3)17-18-19-11/h8-9,16H,4-7H2,1-3H3
InChIKeyRDQQXVLDMJAPGO-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.04
Rot. Bonds7

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

N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine (PubChem CID 105174384) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
PubChem CID105174384
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1snnc1C(C)C
InChIInChI=1S/C12H20F3N3S/c1-4-16-9(6-5-7-12(13,14)15)11-10(8(2)3)17-18-19-11/h8-9,16H,4-7H2,1-3H3
InChIKeyRDQQXVLDMJAPGO-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine (CID 105174384) is N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine is CCNC(CCCC(F)(F)F)c1snnc1C(C)C.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is RDQQXVLDMJAPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-4-16-9(6-5-7-12(13,14)15)11-10(8(2)3)17-18-19-11/h8-9,16H,4-7H2,1-3H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 295.37 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105174384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).