2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol

C18H20N2O3S — CID 111468628

IUPAC2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol
SMILESCC(O)(CNCc1csc(COc2ccccc2)n1)c1ccco1
InChIInChI=1S/C18H20N2O3S/c1-18(21,16-8-5-9-22-16)13-19-10-14-12-24-17(20-14)11-23-15-6-3-2-4-7-15/h2-9,12,19,21H,10-11,13H2,1H3
InChIKeyOWIXLLPZGGFKNK-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.31
Rot. Bonds8

About 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol

2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol (PubChem CID 111468628) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol
PubChem CID111468628
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol
SMILESCC(O)(CNCc1csc(COc2ccccc2)n1)c1ccco1
InChIInChI=1S/C18H20N2O3S/c1-18(21,16-8-5-9-22-16)13-19-10-14-12-24-17(20-14)11-23-15-6-3-2-4-7-15/h2-9,12,19,21H,10-11,13H2,1H3
InChIKeyOWIXLLPZGGFKNK-UHFFFAOYSA-N
XLogP3.31
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 111122709
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methanamine
CID 86947343
2-(methoxymethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 75385083
(2R)-3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]butanoic acid
CID 120511103
1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 154748611
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 111468723
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110313616
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol (CID 111468628) is 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol is CC(O)(CNCc1csc(COc2ccccc2)n1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol?
The InChIKey is OWIXLLPZGGFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-18(21,16-8-5-9-22-16)13-19-10-14-12-24-17(20-14)11-23-15-6-3-2-4-7-15/h2-9,12,19,21H,10-11,13H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol?
2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol has a molecular weight of 344.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 111468628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).