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

C14H23F3N2S — CID 79954263

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H23F3N2S/c1-5-18-10(6-7-14(15,16)17)8-12-19-11(9-20-12)13(2,3)4/h9-10,18H,5-8H2,1-4H3
InChIKeyLXUKTIVQYRHGBL-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.30
Rot. Bonds6

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine (PubChem CID 79954263) has the molecular formula C14H23F3N2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
PubChem CID79954263
Molecular FormulaC14H23F3N2S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H23F3N2S/c1-5-18-10(6-7-14(15,16)17)8-12-19-11(9-20-12)13(2,3)4/h9-10,18H,5-8H2,1-4H3
InChIKeyLXUKTIVQYRHGBL-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.30
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)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine (CID 79954263) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine is CCNC(CCC(F)(F)F)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
The InChIKey is LXUKTIVQYRHGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2S/c1-5-18-10(6-7-14(15,16)17)8-12-19-11(9-20-12)13(2,3)4/h9-10,18H,5-8H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine has a molecular weight of 308.41 g/mol, XLogP of 4.30, 6 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)-N-ethyl-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 79954263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).