5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

C23H28FN5O3S — CID 143415420

IUPAC5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESC=NN(CC)CC1CN(c2ccc(-c3cnc(N4CCS(=O)CC4)c(C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H28FN5O3S/c1-4-28(25-3)14-19-15-29(23(30)32-19)18-5-6-20(21(24)12-18)17-11-16(2)22(26-13-17)27-7-9-33(31)10-8-27/h5-6,11-13,19H,3-4,7-10,14-15H2,1-2H3
InChIKeyADSMHTNJIYKDHQ-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.03
Rot. Bonds7

About 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 143415420) has the molecular formula C23H28FN5O3S and a molecular weight of 473.57 g/mol. Its IUPAC name is 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID143415420
Molecular FormulaC23H28FN5O3S
Molecular Weight473.57 g/mol
Exact Mass473.19
IUPAC Name5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESC=NN(CC)CC1CN(c2ccc(-c3cnc(N4CCS(=O)CC4)c(C)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H28FN5O3S/c1-4-28(25-3)14-19-15-29(23(30)32-19)18-5-6-20(21(24)12-18)17-11-16(2)22(26-13-17)27-7-9-33(31)10-8-27/h5-6,11-13,19H,3-4,7-10,14-15H2,1-2H3
InChIKeyADSMHTNJIYKDHQ-UHFFFAOYSA-N
XLogP3.03
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
CID 143415345
3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22943616
3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
CID 143415334
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 142276569
N'-[amino(methyl)amino]-5-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidamide
CID 145042320
(5R)-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11440117
N'-[amino(methyl)amino]-5-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidamide;ethane
CID 145042319
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 126496005
(5R)-3-[3-fluoro-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 155004518

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 143415420) is 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is C=NN(CC)CC1CN(c2ccc(-c3cnc(N4CCS(=O)CC4)c(C)c3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ADSMHTNJIYKDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S/c1-4-28(25-3)14-19-15-29(23(30)32-19)18-5-6-20(21(24)12-18)17-11-16(2)22(26-13-17)27-7-9-33(31)10-8-27/h5-6,11-13,19H,3-4,7-10,14-15H2,1-2H3.
What are the key properties of 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 473.57 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143415420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).