ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide

C20H30FN3O3S2 — CID 143392611

IUPACethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide
SMILESCC.CC.O=C(NC1=NCCC(F)S1)/C(=N/O[C@@H]1CCOC1)c1ccc(S)cc1
InChIInChI=1S/C16H18FN3O3S2.2C2H6/c17-13-5-7-18-16(25-13)19-15(21)14(10-1-3-12(24)4-2-10)20-23-11-6-8-22-9-11;2*1-2/h1-4,11,13,24H,5-9H2,(H,18,19,21);2*1-2H3/b20-14+;;/t11-,13?;;/m1../s1
InChIKeySVKQEGKYRXJXHT-PPLUMCPESA-N
MW443.61 g/mol
LogP4.44
Rot. Bonds4

About ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide

ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide (PubChem CID 143392611) has the molecular formula C20H30FN3O3S2 and a molecular weight of 443.61 g/mol. Its IUPAC name is ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound Nameethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide
PubChem CID143392611
Molecular FormulaC20H30FN3O3S2
Molecular Weight443.61 g/mol
Exact Mass443.17
IUPAC Nameethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide
SMILESCC.CC.O=C(NC1=NCCC(F)S1)/C(=N/O[C@@H]1CCOC1)c1ccc(S)cc1
InChIInChI=1S/C16H18FN3O3S2.2C2H6/c17-13-5-7-18-16(25-13)19-15(21)14(10-1-3-12(24)4-2-10)20-23-11-6-8-22-9-11;2*1-2/h1-4,11,13,24H,5-9H2,(H,18,19,21);2*1-2H3/b20-14+;;/t11-,13?;;/m1../s1
InChIKeySVKQEGKYRXJXHT-PPLUMCPESA-N
XLogP4.44
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.44
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide 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-[4-[C-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]-N-[(3R)-oxolan-3-yl]oxycarbonimidoyl]phenyl]cyclopropanecarboxamide
CID 90867288
2-(4-cyclopropylsulfonylphenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91433780
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 90970313
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91306229
tert-butyl 4-[4-[C-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]-N-[(3R)-oxolan-3-yl]oxycarbonimidoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 91268223
2-(4-cyclobutylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90984512
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91409632
2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91142425
N-(5-bromo-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91242447
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91529865
(2E)-2-(3-chloro-4-methylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(oxolan-3-yloxyimino)acetamide
CID 143392607
(2E)-2-[4-(2-aminoethylsulfanyl)phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 143392777

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide (CID 143392611) is ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide is CC.CC.O=C(NC1=NCCC(F)S1)/C(=N/O[C@@H]1CCOC1)c1ccc(S)cc1.
What is the InChIKey of ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide?
The InChIKey is SVKQEGKYRXJXHT-PPLUMCPESA-N. The full InChI is InChI=1S/C16H18FN3O3S2.2C2H6/c17-13-5-7-18-16(25-13)19-15(21)14(10-1-3-12(24)4-2-10)20-23-11-6-8-22-9-11;2*1-2/h1-4,11,13,24H,5-9H2,(H,18,19,21);2*1-2H3/b20-14+;;/t11-,13?;;/m1../s1.
What are the key properties of ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide?
ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide has a molecular weight of 443.61 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 143392611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).