1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine

C20H20F3N3O2S — CID 86884892

IUPAC1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine
SMILESCc1nc(COc2ccc(CNCc3ccc(OCC(F)(F)F)nc3)cc2)cs1
InChIInChI=1S/C20H20F3N3O2S/c1-14-26-17(12-29-14)11-27-18-5-2-15(3-6-18)8-24-9-16-4-7-19(25-10-16)28-13-20(21,22)23/h2-7,10,12,24H,8-9,11,13H2,1H3
InChIKeyLVLLZHHMUXJTSH-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.66
Rot. Bonds9

About 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine

1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine (PubChem CID 86884892) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine
PubChem CID86884892
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine
SMILESCc1nc(COc2ccc(CNCc3ccc(OCC(F)(F)F)nc3)cc2)cs1
InChIInChI=1S/C20H20F3N3O2S/c1-14-26-17(12-29-14)11-27-18-5-2-15(3-6-18)8-24-9-16-4-7-19(25-10-16)28-13-20(21,22)23/h2-7,10,12,24H,8-9,11,13H2,1H3
InChIKeyLVLLZHHMUXJTSH-UHFFFAOYSA-N
XLogP4.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]methanamine
CID 38048603
2-methyl-3-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 110905977
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
N,N-dimethyl-1-[[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]methyl]cyclohexan-1-amine
CID 8851200
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111183950
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111871607
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine (CID 86884892) is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine is Cc1nc(COc2ccc(CNCc3ccc(OCC(F)(F)F)nc3)cc2)cs1.
What is the InChIKey of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine?
The InChIKey is LVLLZHHMUXJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c1-14-26-17(12-29-14)11-27-18-5-2-15(3-6-18)8-24-9-16-4-7-19(25-10-16)28-13-20(21,22)23/h2-7,10,12,24H,8-9,11,13H2,1H3.
What are the key properties of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine?
1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine has a molecular weight of 423.46 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 86884892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).