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

C10H16F2N2OS — CID 102978106

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCCOCC(F)F)cs1
InChIInChI=1S/C10H16F2N2OS/c1-7(9-6-16-8(2)14-9)13-3-4-15-5-10(11)12/h6-7,10,13H,3-5H2,1-2H3
InChIKeyLJIKGHMJFZRJOT-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.38
Rot. Bonds7

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

N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 102978106) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID102978106
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCCOCC(F)F)cs1
InChIInChI=1S/C10H16F2N2OS/c1-7(9-6-16-8(2)14-9)13-3-4-15-5-10(11)12/h6-7,10,13H,3-5H2,1-2H3
InChIKeyLJIKGHMJFZRJOT-UHFFFAOYSA-N
XLogP2.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.38
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-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 102978106) is N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCCOCC(F)F)cs1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is LJIKGHMJFZRJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-7(9-6-16-8(2)14-9)13-3-4-15-5-10(11)12/h6-7,10,13H,3-5H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 102978106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).