1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C14H23F3N2OS — CID 63827653

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C14H23F3N2OS/c1-9(18-6-7-20-8-14(15,16)17)11-10(2)19-12(21-11)13(3,4)5/h9,18H,6-8H2,1-5H3
InChIKeyOZTVXUXMCCNVHY-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.98
Rot. Bonds6

About 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 63827653) has the molecular formula C14H23F3N2OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID63827653
Molecular FormulaC14H23F3N2OS
Molecular Weight324.41 g/mol
Exact Mass324.15
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C14H23F3N2OS/c1-9(18-6-7-20-8-14(15,16)17)11-10(2)19-12(21-11)13(3,4)5/h9,18H,6-8H2,1-5H3
InChIKeyOZTVXUXMCCNVHY-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 63827653) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is Cc1nc(C(C)(C)C)sc1C(C)NCCOCC(F)(F)F.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is OZTVXUXMCCNVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2OS/c1-9(18-6-7-20-8-14(15,16)17)11-10(2)19-12(21-11)13(3,4)5/h9,18H,6-8H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 324.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 63827653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).