(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide

C15H16FN3O3S2 — CID 143392836

IUPAC(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide
SMILESCOCCCO/N=C(/C(=O)Nc1ncc(F)s1)c1ccc(S)cc1
InChIInChI=1S/C15H16FN3O3S2/c1-21-7-2-8-22-19-13(10-3-5-11(23)6-4-10)14(20)18-15-17-9-12(16)24-15/h3-6,9,23H,2,7-8H2,1H3,(H,17,18,20)/b19-13+
InChIKeyUCRQGVCTBHFUNY-CPNJWEJPSA-N
MW369.44 g/mol
LogP2.97
Rot. Bonds8

About (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide

(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide (PubChem CID 143392836) has the molecular formula C15H16FN3O3S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound Name(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide
PubChem CID143392836
Molecular FormulaC15H16FN3O3S2
Molecular Weight369.44 g/mol
Exact Mass369.06
IUPAC Name(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide
SMILESCOCCCO/N=C(/C(=O)Nc1ncc(F)s1)c1ccc(S)cc1
InChIInChI=1S/C15H16FN3O3S2/c1-21-7-2-8-22-19-13(10-3-5-11(23)6-4-10)14(20)18-15-17-9-12(16)24-15/h3-6,9,23H,2,7-8H2,1H3,(H,17,18,20)/b19-13+
InChIKeyUCRQGVCTBHFUNY-CPNJWEJPSA-N
XLogP2.97
TPSA72.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-2-(3-hydroxypropoxyimino)acetamide
CID 76631190
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
CID 76631383
N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(pyridin-2-ylmethoxyimino)acetamide
CID 76630526
(2Z)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(1-hydroxy-4-methoxybutyl)phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 24998342
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide
CID 91180641
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-(3-hydroxypropoxyimino)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 172965442
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
CID 76630698
2-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetamide
CID 91606387
N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-(1H-pyrazol-5-ylmethoxyimino)acetamide
CID 76630845
(2E)-2-(4-cyclopropylsulfinylphenyl)-2-(3-ethoxypropoxyimino)-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 172937311
2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 76630988
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-hydroxycyclohexyl)oxyiminoacetamide
CID 76630828

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide (CID 143392836) is (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide is COCCCO/N=C(/C(=O)Nc1ncc(F)s1)c1ccc(S)cc1.
What is the InChIKey of (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is UCRQGVCTBHFUNY-CPNJWEJPSA-N. The full InChI is InChI=1S/C15H16FN3O3S2/c1-21-7-2-8-22-19-13(10-3-5-11(23)6-4-10)14(20)18-15-17-9-12(16)24-15/h3-6,9,23H,2,7-8H2,1H3,(H,17,18,20)/b19-13+.
What are the key properties of (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide?
(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 369.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(3-methoxypropoxyimino)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 143392836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).