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

C16H20F2N2O2S — CID 111104802

IUPAC1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)c1nc(CNCC(O)COc2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H20F2N2O2S/c1-10(2)16-20-11(9-23-16)6-19-7-12(21)8-22-13-3-4-14(17)15(18)5-13/h3-5,9-10,12,19,21H,6-8H2,1-2H3
InChIKeyQFRWMJCZCHPQNL-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.07
Rot. Bonds8

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

1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol (PubChem CID 111104802) has the molecular formula C16H20F2N2O2S and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
PubChem CID111104802
Molecular FormulaC16H20F2N2O2S
Molecular Weight342.41 g/mol
Exact Mass342.12
IUPAC Name1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)c1nc(CNCC(O)COc2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H20F2N2O2S/c1-10(2)16-20-11(9-23-16)6-19-7-12(21)8-22-13-3-4-14(17)15(18)5-13/h3-5,9-10,12,19,21H,6-8H2,1-2H3
InChIKeyQFRWMJCZCHPQNL-UHFFFAOYSA-N
XLogP3.07
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-(3,4-difluorophenoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 111110050
1-(3,4-difluorophenoxy)-3-[(5-nitrothiophen-3-yl)methylamino]propan-2-ol
CID 111104806
1-(4-propan-2-yloxyphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111422217
1-(3,4-difluorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 109481916
1-(3,4-difluorophenoxy)-3-[(4-nitrophenyl)methylamino]propan-2-ol
CID 111104821
(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol
CID 97307213
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
1-(4-methoxyphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633719
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
CID 71849233
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol (CID 111104802) is 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol is CC(C)c1nc(CNCC(O)COc2ccc(F)c(F)c2)cs1.
What is the InChIKey of 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The InChIKey is QFRWMJCZCHPQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2S/c1-10(2)16-20-11(9-23-16)6-19-7-12(21)8-22-13-3-4-14(17)15(18)5-13/h3-5,9-10,12,19,21H,6-8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol has a molecular weight of 342.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111104802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).