methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate

C9H11N3O4S — CID 54179551

IUPACmethyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1csc(NC(C)=O)n1
InChIInChI=1S/C9H11N3O4S/c1-5(13)10-9-11-6(4-17-9)7(12-16-3)8(14)15-2/h4H,1-3H3,(H,10,11,13)
InChIKeyPAVRNXZCVQZMEV-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.62
Rot. Bonds4

About methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate

methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate (PubChem CID 54179551) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
PubChem CID54179551
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Namemethyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1csc(NC(C)=O)n1
InChIInChI=1S/C9H11N3O4S/c1-5(13)10-9-11-6(4-17-9)7(12-16-3)8(14)15-2/h4H,1-3H3,(H,10,11,13)
InChIKeyPAVRNXZCVQZMEV-UHFFFAOYSA-N
XLogP0.62
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 142637269
(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 141367897
methyl 2-ethoxyimino-2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
CID 54036724
ethyl 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
CID 3593442
methyl (2Z)-2-acetyloxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate
CID 11013321
tert-butyl 2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]propanoate
CID 142637276
ethyl 2-methoxyimino-2-[2-[(3-methoxy-2-oxopropanoyl)amino]-1,3-thiazol-4-yl]acetate
CID 139755450
(2E)-2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 22827748
(2Z)-2-methoxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate
CID 19067212
ethyl (2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 11118700
methyl (2Z)-2-(trideuteriomethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate
CID 71752859
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The IUPAC name of methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate (CID 54179551) is methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate.
What is the SMILES notation for methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The canonical SMILES for methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate is CON=C(C(=O)OC)c1csc(NC(C)=O)n1.
What is the InChIKey of methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The InChIKey is PAVRNXZCVQZMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S/c1-5(13)10-9-11-6(4-17-9)7(12-16-3)8(14)15-2/h4H,1-3H3,(H,10,11,13).
What are the key properties of methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate has a molecular weight of 257.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 54179551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).