(5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate

C18H19ClN2O6S2 — CID 91279699

IUPAC(5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate
SMILESCOC[C@@H](C)ON=C(C(=O)Oc1ncc(Cl)s1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C18H19ClN2O6S2/c1-11(10-25-2)27-21-16(17(22)26-18-20-9-15(19)28-18)12-3-5-13(6-4-12)29(23,24)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyHKOSNYBYIMCFKH-LLVKDONJSA-N
MW458.95 g/mol
LogP3.09
Rot. Bonds9

About (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate

(5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate (PubChem CID 91279699) has the molecular formula C18H19ClN2O6S2 and a molecular weight of 458.95 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate
PubChem CID91279699
Molecular FormulaC18H19ClN2O6S2
Molecular Weight458.95 g/mol
Exact Mass458.04
IUPAC Name(5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate
SMILESCOC[C@@H](C)ON=C(C(=O)Oc1ncc(Cl)s1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C18H19ClN2O6S2/c1-11(10-25-2)27-21-16(17(22)26-18-20-9-15(19)28-18)12-3-5-13(6-4-12)29(23,24)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3/t11-/m1/s1
InChIKeyHKOSNYBYIMCFKH-LLVKDONJSA-N
XLogP3.09
TPSA104.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2-methoxyethoxyimino)acetamide
CID 76630698
2-(4-cyclopropylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2S)-2-(methoxymethoxy)propoxy]iminoacetamide
CID 91180641
2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-2-(methoxymethoxy)propoxy]imino-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 90906287
2-(4-cyclopropylsulfonylphenyl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-(1-pyrimidin-2-ylethoxyimino)acetamide
CID 76630183
2-(4-cyclopropylsulfonylphenyl)-N-[5-(dimethylamino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(2R)-1-hydroxypropan-2-yl]oxyiminoacetamide
CID 91458470
methyl 2-(cyanomethoxyimino)-2-(4-cyclopropylsulfonylphenyl)acetate
CID 76630024
(1E)-1-(4-cyclopropylsulfonylphenyl)-3-[5-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]-1-[(3R)-oxolan-3-yl]oxyiminopropan-2-one
CID 172962335
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-(3-hydroxypropoxyimino)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 172965442
2-[(2R)-1-hydroxypropan-2-yl]oxyimino-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide
CID 91303744
2-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetamide
CID 91606387
methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate
CID 59285061
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-2-(oxan-4-yloxyimino)acetamide
CID 76631393

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate (CID 91279699) is (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate is COC[C@@H](C)ON=C(C(=O)Oc1ncc(Cl)s1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate?
The InChIKey is HKOSNYBYIMCFKH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19ClN2O6S2/c1-11(10-25-2)27-21-16(17(22)26-18-20-9-15(19)28-18)12-3-5-13(6-4-12)29(23,24)14-7-8-14/h3-6,9,11,14H,7-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate?
(5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate has a molecular weight of 458.95 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl) 2-(4-cyclopropylsulfonylphenyl)-2-[(2R)-1-methoxypropan-2-yl]oxyiminoacetate is sourced from PubChem (CID 91279699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).