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

C13H22F2N2OS — CID 103150626

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1C(C)C
InChIInChI=1S/C13H22F2N2OS/c1-4-16-7-10-13(9(2)3)17-12(19-10)5-6-18-8-11(14)15/h9,11,16H,4-8H2,1-3H3
InChIKeyLKGPZSSPHWBBSG-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.20
Rot. Bonds9

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 103150626) has the molecular formula C13H22F2N2OS and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID103150626
Molecular FormulaC13H22F2N2OS
Molecular Weight292.39 g/mol
Exact Mass292.14
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CCOCC(F)F)nc1C(C)C
InChIInChI=1S/C13H22F2N2OS/c1-4-16-7-10-13(9(2)3)17-12(19-10)5-6-18-8-11(14)15/h9,11,16H,4-8H2,1-3H3
InChIKeyLKGPZSSPHWBBSG-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.20
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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Related Compounds

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150624
N-[[4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150625
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150617
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365128
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150641
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
N-[[2-(2-ethoxyethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106815449
N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150652
1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150646
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 103150626) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CCOCC(F)F)nc1C(C)C.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is LKGPZSSPHWBBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2OS/c1-4-16-7-10-13(9(2)3)17-12(19-10)5-6-18-8-11(14)15/h9,11,16H,4-8H2,1-3H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 292.39 g/mol, XLogP of 3.20, 9 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-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 103150626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).