(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol

C17H23FN2O2S — CID 97307213

IUPAC(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol
SMILESCC(C)c1nc([C@@H](C)NC[C@H](O)COc2ccc(F)cc2)cs1
InChIInChI=1S/C17H23FN2O2S/c1-11(2)17-20-16(10-23-17)12(3)19-8-14(21)9-22-15-6-4-13(18)5-7-15/h4-7,10-12,14,19,21H,8-9H2,1-3H3/t12-,14+/m1/s1
InChIKeyCUOYCNZDVPENGL-OCCSQVGLSA-N
MW338.45 g/mol
LogP3.50
Rot. Bonds8

About (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol

(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol (PubChem CID 97307213) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol
PubChem CID97307213
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol
SMILESCC(C)c1nc([C@@H](C)NC[C@H](O)COc2ccc(F)cc2)cs1
InChIInChI=1S/C17H23FN2O2S/c1-11(2)17-20-16(10-23-17)12(3)19-8-14(21)9-22-15-6-4-13(18)5-7-15/h4-7,10-12,14,19,21H,8-9H2,1-3H3/t12-,14+/m1/s1
InChIKeyCUOYCNZDVPENGL-OCCSQVGLSA-N
XLogP3.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
1-(4-fluorophenoxy)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
CID 133272671
1-(3,4-difluorophenoxy)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111104802
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464487
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
3-fluoro-4-[1-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 110028593
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(4-fluorophenoxy)-4-methylpentan-2-ol
CID 117241745
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol (CID 97307213) is (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol is CC(C)c1nc([C@@H](C)NC[C@H](O)COc2ccc(F)cc2)cs1.
What is the InChIKey of (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol?
The InChIKey is CUOYCNZDVPENGL-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-11(2)17-20-16(10-23-17)12(3)19-8-14(21)9-22-15-6-4-13(18)5-7-15/h4-7,10-12,14,19,21H,8-9H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol?
(2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol has a molecular weight of 338.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenoxy)-3-[[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 97307213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).