1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C9H14F2N2OS — CID 103150107

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C9H14F2N2OS/c1-12-4-7-5-13-9(15-7)2-3-14-6-8(10)11/h5,8,12H,2-4,6H2,1H3
InChIKeyCDOJCUKDYYVULX-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.69
Rot. Bonds7

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

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103150107) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103150107
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C9H14F2N2OS/c1-12-4-7-5-13-9(15-7)2-3-14-6-8(10)11/h5,8,12H,2-4,6H2,1H3
InChIKeyCDOJCUKDYYVULX-UHFFFAOYSA-N
XLogP1.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.69
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-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
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-(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
5-(Difluoromethyl)-2-(2-ethyl-1,3-thiazol-5-yl)-2,3-dihydro-1,3,4-oxadiazole
CID 156799459
Methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 176941473

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103150107) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1cnc(CCOCC(F)F)s1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CDOJCUKDYYVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-12-4-7-5-13-9(15-7)2-3-14-6-8(10)11/h5,8,12H,2-4,6H2,1H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 236.29 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103150107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).