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

C12H20F3N3S — CID 105174444

IUPAC1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1snnc1C(C)(C)C
InChIInChI=1S/C12H20F3N3S/c1-11(2,3)10-9(19-18-17-10)8(16-4)6-5-7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyMYPSWJPSAAHLMQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.83
Rot. Bonds5

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

1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (PubChem CID 105174444) has the molecular formula C12H20F3N3S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
PubChem CID105174444
Molecular FormulaC12H20F3N3S
Molecular Weight295.37 g/mol
Exact Mass295.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1snnc1C(C)(C)C
InChIInChI=1S/C12H20F3N3S/c1-11(2,3)10-9(19-18-17-10)8(16-4)6-5-7-12(13,14)15/h8,16H,5-7H2,1-4H3
InChIKeyMYPSWJPSAAHLMQ-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.83
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-methylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine (CID 105174444) is 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The InChIKey is MYPSWJPSAAHLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3S/c1-11(2,3)10-9(19-18-17-10)8(16-4)6-5-7-12(13,14)15/h8,16H,5-7H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-5,5,5-trifluoro-N-methylpentan-1-amine has a molecular weight of 295.37 g/mol, XLogP of 3.83, 5 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-methylpentan-1-amine is sourced from PubChem (CID 105174444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).