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

C12H20F2N2O2S — CID 103150637

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1COC
InChIInChI=1S/C12H20F2N2O2S/c1-3-15-6-10-9(7-17-2)16-12(19-10)4-5-18-8-11(13)14/h11,15H,3-8H2,1-2H3
InChIKeyPHMUKDCZZBSOKT-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.22
Rot. Bonds10

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103150637) has the molecular formula C12H20F2N2O2S and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103150637
Molecular FormulaC12H20F2N2O2S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1COC
InChIInChI=1S/C12H20F2N2O2S/c1-3-15-6-10-9(7-17-2)16-12(19-10)4-5-18-8-11(13)14/h11,15H,3-8H2,1-2H3
InChIKeyPHMUKDCZZBSOKT-UHFFFAOYSA-N
XLogP2.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 103150637) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCOCC(F)F)nc1COC.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is PHMUKDCZZBSOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2S/c1-3-15-6-10-9(7-17-2)16-12(19-10)4-5-18-8-11(13)14/h11,15H,3-8H2,1-2H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 294.37 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103150637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).