1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine

C12H19F3N2S — CID 79954242

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N2S/c1-11(2,3)9-7-18-10(17-9)6-8(16)4-5-12(13,14)15/h7-8H,4-6,16H2,1-3H3
InChIKeyPEPAQIIHRZVNIP-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.65
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine (PubChem CID 79954242) 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)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine
PubChem CID79954242
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N2S/c1-11(2,3)9-7-18-10(17-9)6-8(16)4-5-12(13,14)15/h7-8H,4-6,16H2,1-3H3
InChIKeyPEPAQIIHRZVNIP-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 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 ≤ 53.65
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)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine (CID 79954242) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine is CC(C)(C)c1csc(CC(N)CCC(F)(F)F)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is PEPAQIIHRZVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-11(2,3)9-7-18-10(17-9)6-8(16)4-5-12(13,14)15/h7-8H,4-6,16H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.65, 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)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 79954242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).