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

C11H18F2N2OS — CID 103150556

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1C
InChIInChI=1S/C11H18F2N2OS/c1-3-14-6-9-8(2)15-11(17-9)4-5-16-7-10(12)13/h10,14H,3-7H2,1-2H3
InChIKeyGNWZCBVZHZNVNB-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.39
Rot. Bonds8

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103150556) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103150556
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1C
InChIInChI=1S/C11H18F2N2OS/c1-3-14-6-9-8(2)15-11(17-9)4-5-16-7-10(12)13/h10,14H,3-7H2,1-2H3
InChIKeyGNWZCBVZHZNVNB-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.39
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-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 103150556) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCOCC(F)F)nc1C.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is GNWZCBVZHZNVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-3-14-6-9-8(2)15-11(17-9)4-5-16-7-10(12)13/h10,14H,3-7H2,1-2H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 264.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103150556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).