N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

C15H13FN4O4S3 — CID 22966270

IUPACN-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESCC(=S)NCC1CN(c2ccc(Sc3ncc([N+](=O)[O-])s3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H13FN4O4S3/c1-8(25)17-5-10-7-19(15(21)24-10)9-2-3-12(11(16)4-9)26-14-18-6-13(27-14)20(22)23/h2-4,6,10H,5,7H2,1H3,(H,17,25)
InChIKeyJSJATIDRALDSGN-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.60
Rot. Bonds6

About N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (PubChem CID 22966270) has the molecular formula C15H13FN4O4S3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
PubChem CID22966270
Molecular FormulaC15H13FN4O4S3
Molecular Weight428.49 g/mol
Exact Mass428.01
IUPAC NameN-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
SMILESCC(=S)NCC1CN(c2ccc(Sc3ncc([N+](=O)[O-])s3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H13FN4O4S3/c1-8(25)17-5-10-7-19(15(21)24-10)9-2-3-12(11(16)4-9)26-14-18-6-13(27-14)20(22)23/h2-4,6,10H,5,7H2,1H3,(H,17,25)
InChIKeyJSJATIDRALDSGN-UHFFFAOYSA-N
XLogP3.60
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide 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

N-[[(5S)-3-[3-fluoro-4-[1-(5-nitrothiophene-2-carbothioyl)piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10007428
N-[[(5S)-3-[4-(2-chloroethylsulfanyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide;N-[[(5S)-3-(3-fluoro-4-methylsulfanylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 160802204
actinium;[(5S)-3-[3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanide
CID 59043587
N-[[(5S)-3-[3-fluoro-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 142669207
N-[[(5S)-3-[3-fluoro-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 54417779
N-[[(5S)-3-[3-fluoro-4-[[4-(4-nitrophenyl)-7-oxocyclohepta-1,3,5-trien-1-yl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 143554905
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[3-[4-[4-(5-bromothiophene-2-carbothioyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 87833738
N-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-methylpyrazine-2-carbothioamide
CID 91337970
N-[[(5S)-3-[3-fluoro-4-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10230087
N-[[(5S)-3-[3-fluoro-4-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57275013
1-[[3-[3-fluoro-4-[methyl-[(5-nitrothiophen-2-yl)methyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methylthiourea
CID 72787373

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The IUPAC name of N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide (CID 22966270) is N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The canonical SMILES for N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is CC(=S)NCC1CN(c2ccc(Sc3ncc([N+](=O)[O-])s3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
The InChIKey is JSJATIDRALDSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S3/c1-8(25)17-5-10-7-19(15(21)24-10)9-2-3-12(11(16)4-9)26-14-18-6-13(27-14)20(22)23/h2-4,6,10H,5,7H2,1H3,(H,17,25).
What are the key properties of N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide?
N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide has a molecular weight of 428.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide is sourced from PubChem (CID 22966270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).