1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine

C12H19F3N2S — CID 79819740

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)CC(F)(F)F
InChIInChI=1S/C12H19F3N2S/c1-11(2,3)9-7-18-10(17-9)5-8(16-4)6-12(13,14)15/h7-8,16H,5-6H2,1-4H3
InChIKeyRPOVSEJLIBYGSO-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine (PubChem CID 79819740) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
PubChem CID79819740
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(Cc1nc(C(C)(C)C)cs1)CC(F)(F)F
InChIInChI=1S/C12H19F3N2S/c1-11(2,3)9-7-18-10(17-9)5-8(16-4)6-12(13,14)15/h7-8,16H,5-6H2,1-4H3
InChIKeyRPOVSEJLIBYGSO-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.52
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-trifluoro-N-methylbutan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine (CID 79819740) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine is CNC(Cc1nc(C(C)(C)C)cs1)CC(F)(F)F.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The InChIKey is RPOVSEJLIBYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-11(2,3)9-7-18-10(17-9)5-8(16-4)6-12(13,14)15/h7-8,16H,5-6H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.52, 4 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-trifluoro-N-methylbutan-2-amine is sourced from PubChem (CID 79819740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).