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

C11H18F2N2OS — CID 103150111

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C11H18F2N2OS/c1-2-4-14-6-9-7-15-11(17-9)3-5-16-8-10(12)13/h7,10,14H,2-6,8H2,1H3
InChIKeyWBTHGUDYJYHNKT-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.47
Rot. Bonds9

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 103150111) 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]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID103150111
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C11H18F2N2OS/c1-2-4-14-6-9-7-15-11(17-9)3-5-16-8-10(12)13/h7,10,14H,2-6,8H2,1H3
InChIKeyWBTHGUDYJYHNKT-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.47
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

2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
[1-Amino-2-(5-methyl-1,3-thiazol-2-yl)ethyl] 2,2,2-trifluoroacetate
CID 69714138
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
N',N'-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 121378930
3-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
CID 122642788
2,2,2-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 156060729
Methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 176941473
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 60982523

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 103150111) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(CCOCC(F)F)s1.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WBTHGUDYJYHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-2-4-14-6-9-7-15-11(17-9)3-5-16-8-10(12)13/h7,10,14H,2-6,8H2,1H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 264.34 g/mol, XLogP of 2.47, 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]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 103150111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).