1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine

C11H17F3N2S — CID 79819587

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2S/c1-10(2,3)8-6-17-9(16-8)4-7(15)5-11(12,13)14/h6-7H,4-5,15H2,1-3H3
InChIKeyUAIVQUYWCSGERR-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine (PubChem CID 79819587) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine
PubChem CID79819587
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2S/c1-10(2,3)8-6-17-9(16-8)4-7(15)5-11(12,13)14/h6-7H,4-5,15H2,1-3H3
InChIKeyUAIVQUYWCSGERR-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine (CID 79819587) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine is CC(C)(C)c1csc(CC(N)CC(F)(F)F)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine?
The InChIKey is UAIVQUYWCSGERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-10(2,3)8-6-17-9(16-8)4-7(15)5-11(12,13)14/h6-7H,4-5,15H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine has a molecular weight of 266.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 79819587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).