(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one

C16H18FN3O3S — CID 129071184

IUPAC(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)c1ncc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)s1
InChIInChI=1S/C16H18FN3O3S/c1-16(2,22)14-19-7-13(24-14)11-4-3-9(5-12(11)17)20-8-10(6-18)23-15(20)21/h3-5,7,10,22H,6,8,18H2,1-2H3/t10-/m0/s1
InChIKeyXFGPOUMQXCHXSH-JTQLQIEISA-N
MW351.40 g/mol
LogP2.46
Rot. Bonds4

About (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 129071184) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID129071184
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCC(C)(O)c1ncc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)s1
InChIInChI=1S/C16H18FN3O3S/c1-16(2,22)14-19-7-13(24-14)11-4-3-9(5-12(11)17)20-8-10(6-18)23-15(20)21/h3-5,7,10,22H,6,8,18H2,1-2H3/t10-/m0/s1
InChIKeyXFGPOUMQXCHXSH-JTQLQIEISA-N
XLogP2.46
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[(Z)-2-fluoro-2-(1,3-thiazol-2-yl)ethenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10134297
1-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 47051066
1-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 53527471
Pnu-176798
CID 10338562
N-({(5s)-2-Oxo-3-[4-(1,3-Thiazol-5-Yl)phenyl]-1,3-Oxazolidin-5-Yl}methyl)acetamide
CID 129900336
N-[(S)-3-(3-Fluoro-4-thiazol-5-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 476961
N-[[(5S)-3-[4-(2-acetylthiazol-5-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 476962
N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11496049
N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-(1,3-thiazol-2-yl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11510225
N-[[(5S)-3-[3-fluoro-4-[3-fluoro-4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403831
N-[[(5S)-3-[3-fluoro-4-[4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403870
N-[[(5S)-3-[3-fluoro-4-[4-[[2-(1,3-thiazol-2-ylsulfanyl)ethylamino]methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23403899

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one (CID 129071184) is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one is CC(C)(O)c1ncc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)s1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is XFGPOUMQXCHXSH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-16(2,22)14-19-7-13(24-14)11-4-3-9(5-12(11)17)20-8-10(6-18)23-15(20)21/h3-5,7,10,22H,6,8,18H2,1-2H3/t10-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 351.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129071184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).