3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C17H19FN6O3S — CID 77136616

IUPAC3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESNc1nc(CN2CCN(c3ccc(N4CC(CO)OC4=O)cc3F)C=N2)cs1
InChIInChI=1S/C17H19FN6O3S/c18-14-5-12(24-7-13(8-25)27-17(24)26)1-2-15(14)22-3-4-23(20-10-22)6-11-9-28-16(19)21-11/h1-2,5,9-10,13,25H,3-4,6-8H2,(H2,19,21)
InChIKeyCCALXFBQKZGMID-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.45
Rot. Bonds5

About 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 77136616) has the molecular formula C17H19FN6O3S and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID77136616
Molecular FormulaC17H19FN6O3S
Molecular Weight406.44 g/mol
Exact Mass406.12
IUPAC Name3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESNc1nc(CN2CCN(c3ccc(N4CC(CO)OC4=O)cc3F)C=N2)cs1
InChIInChI=1S/C17H19FN6O3S/c18-14-5-12(24-7-13(8-25)27-17(24)26)1-2-15(14)22-3-4-23(20-10-22)6-11-9-28-16(19)21-11/h1-2,5,9-10,13,25H,3-4,6-8H2,(H2,19,21)
InChIKeyCCALXFBQKZGMID-UHFFFAOYSA-N
XLogP1.45
TPSA107.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-[4-(1-ethyl-5,6-dihydro-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58361756
(5R)-3-[3-fluoro-4-[1-[(1-methyltetrazol-5-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66546673
3-[3-fluoro-4-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 77136821
3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76734371
(5R)-3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;methane;methanol
CID 161164741
N-[[(5S)-3-[3-fluoro-4-[1-[(5-formylthiophen-3-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66548813
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
N-[[(5S)-3-[3-fluoro-4-[1-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66548597
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
N-[[(5S)-3-[3-fluoro-4-[1-[(1-methylimidazol-2-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66548797

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 77136616) is 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is Nc1nc(CN2CCN(c3ccc(N4CC(CO)OC4=O)cc3F)C=N2)cs1.
What is the InChIKey of 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is CCALXFBQKZGMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O3S/c18-14-5-12(24-7-13(8-25)27-17(24)26)1-2-15(14)22-3-4-23(20-10-22)6-11-9-28-16(19)21-11/h1-2,5,9-10,13,25H,3-4,6-8H2,(H2,19,21).
What are the key properties of 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 406.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(2-amino-1,3-thiazol-4-yl)methyl]-5,6-dihydro-1,2,4-triazin-4-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 77136616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).