ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate

C11H15N3O5S2 — CID 155760128

IUPACethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H15N3O5S2/c1-3-19-10(15)9(13-18-2)8-6-20-11(12-8)14-21(16,17)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyVPMAUUCUURLDTO-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.96
Rot. Bonds7

About ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate

ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate (PubChem CID 155760128) has the molecular formula C11H15N3O5S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
PubChem CID155760128
Molecular FormulaC11H15N3O5S2
Molecular Weight333.39 g/mol
Exact Mass333.05
IUPAC Nameethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1csc(NS(=O)(=O)C2CC2)n1
InChIInChI=1S/C11H15N3O5S2/c1-3-19-10(15)9(13-18-2)8-6-20-11(12-8)14-21(16,17)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyVPMAUUCUURLDTO-UHFFFAOYSA-N
XLogP0.96
TPSA106.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
CID 138673871
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 3593442
ethyl 2-methoxyimino-2-[2-[(3-methoxy-2-oxopropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 139755450
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 138674013
ethyl 2-methoxyimino-2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 142667304
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-methoxycyclohexyl)oxyiminoacetate
CID 88627014
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
ethyl (2Z)-2-[2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 141174565
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate
CID 21248947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The IUPAC name of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate (CID 155760128) is ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate.
What is the SMILES notation for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The canonical SMILES for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate is CCOC(=O)C(=NOC)c1csc(NS(=O)(=O)C2CC2)n1.
What is the InChIKey of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The InChIKey is VPMAUUCUURLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S2/c1-3-19-10(15)9(13-18-2)8-6-20-11(12-8)14-21(16,17)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate has a molecular weight of 333.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 155760128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).