ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate

C9H11N3O4S — CID 11118700

IUPACethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1csc(NC=O)n1
InChIInChI=1S/C9H11N3O4S/c1-3-16-8(14)7(12-15-2)6-4-17-9(11-6)10-5-13/h4-5H,3H2,1-2H3,(H,10,11,13)/b12-7-
InChIKeyCSAITDDAMOOJCF-GHXNOFRVSA-N
MW257.27 g/mol
LogP0.62
Rot. Bonds6

About ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate

ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate (PubChem CID 11118700) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
PubChem CID11118700
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Nameethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N\OC)c1csc(NC=O)n1
InChIInChI=1S/C9H11N3O4S/c1-3-16-8(14)7(12-15-2)6-4-17-9(11-6)10-5-13/h4-5H,3H2,1-2H3,(H,10,11,13)/b12-7-
InChIKeyCSAITDDAMOOJCF-GHXNOFRVSA-N
XLogP0.62
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid;hydrochloride
CID 173181360
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
2-ethoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54458077
ethyl 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 155760128
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
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetamide
CID 88730387
2-butoxyimino-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 54132484
2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyimino-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 87899918
(2Z)-2-(2-aminoethoxyimino)-2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 21286885

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate (CID 11118700) is ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate is CCOC(=O)/C(=N\OC)c1csc(NC=O)n1.
What is the InChIKey of ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The InChIKey is CSAITDDAMOOJCF-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-3-16-8(14)7(12-15-2)6-4-17-9(11-6)10-5-13/h4-5H,3H2,1-2H3,(H,10,11,13)/b12-7-.
What are the key properties of ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate has a molecular weight of 257.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 11118700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).