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

C14H24F2N2OS — CID 103150609

IUPACN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1C(C)(C)C
InChIInChI=1S/C14H24F2N2OS/c1-5-17-8-10-13(14(2,3)4)18-12(20-10)6-7-19-9-11(15)16/h11,17H,5-9H2,1-4H3
InChIKeyBNRUIZNMUOPUPL-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.37
Rot. Bonds8

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

N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103150609) has the molecular formula C14H24F2N2OS and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103150609
Molecular FormulaC14H24F2N2OS
Molecular Weight306.42 g/mol
Exact Mass306.16
IUPAC NameN-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1C(C)(C)C
InChIInChI=1S/C14H24F2N2OS/c1-5-17-8-10-13(14(2,3)4)18-12(20-10)6-7-19-9-11(15)16/h11,17H,5-9H2,1-4H3
InChIKeyBNRUIZNMUOPUPL-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.37
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 N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 103150609) is N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCOCC(F)F)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BNRUIZNMUOPUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2OS/c1-5-17-8-10-13(14(2,3)4)18-12(20-10)6-7-19-9-11(15)16/h11,17H,5-9H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 306.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103150609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).