5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

C12H21F2N3OS — CID 103081048

IUPAC5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCCOCC(F)F)s1
InChIInChI=1S/C12H21F2N3OS/c1-3-17(4-2)12-16-8-10(19-12)7-15-5-6-18-9-11(13)14/h8,11,15H,3-7,9H2,1-2H3
InChIKeyDFIRDEYSZSPDIX-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.36
Rot. Bonds10

About 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine

5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 103081048) has the molecular formula C12H21F2N3OS and a molecular weight of 293.38 g/mol. Its IUPAC name is 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID103081048
Molecular FormulaC12H21F2N3OS
Molecular Weight293.38 g/mol
Exact Mass293.14
IUPAC Name5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCCOCC(F)F)s1
InChIInChI=1S/C12H21F2N3OS/c1-3-17(4-2)12-16-8-10(19-12)7-15-5-6-18-9-11(13)14/h8,11,15H,3-7,9H2,1-2H3
InChIKeyDFIRDEYSZSPDIX-UHFFFAOYSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.36
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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Related Compounds

N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43777642
N,N-dibutyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62750412
N,N-diethyl-5-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 62197781
N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63691445
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081262
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 103081048) is 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCCOCC(F)F)s1.
What is the InChIKey of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is DFIRDEYSZSPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3OS/c1-3-17(4-2)12-16-8-10(19-12)7-15-5-6-18-9-11(13)14/h8,11,15H,3-7,9H2,1-2H3.
What are the key properties of 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 293.38 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103081048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).