methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate

C8H10N4O5S — CID 10923744

IUPACmethyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OC)c1nsc(NC(=O)OC)n1
InChIInChI=1S/C8H10N4O5S/c1-15-6(13)4(11-17-3)5-9-7(18-12-5)10-8(14)16-2/h1-3H3,(H,9,10,12,14)/b11-4-
InChIKeyHLNQSKHERPWCGV-WCIBSUBMSA-N
MW274.26 g/mol
LogP0.24
Rot. Bonds4

About methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate

methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate (PubChem CID 10923744) has the molecular formula C8H10N4O5S and a molecular weight of 274.26 g/mol. Its IUPAC name is methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate
PubChem CID10923744
Molecular FormulaC8H10N4O5S
Molecular Weight274.26 g/mol
Exact Mass274.04
IUPAC Namemethyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OC)c1nsc(NC(=O)OC)n1
InChIInChI=1S/C8H10N4O5S/c1-15-6(13)4(11-17-3)5-9-7(18-12-5)10-8(14)16-2/h1-3H3,(H,9,10,12,14)/b11-4-
InChIKeyHLNQSKHERPWCGV-WCIBSUBMSA-N
XLogP0.24
TPSA112.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
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

1,2,4-Thiadiazole-3-acetic acid, 5-[(ethoxycarbonyl)amino]-, methyl ester
CID 22726932
2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid
CID 10130412
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 14477682
methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 15651655
methyl (2Z)-2-(fluoromethoxyimino)-2-(5-formamido-1,2,4-thiadiazol-3-yl)acetate
CID 15651657
(5-Amino-[1,2,4]thiadiazol-3-yl)-methoxyimino-acetic acid
CID 29415383
Ethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 53681050
Methyl 2-fluoromethoxyimino-2-(5-amino-1,2,4-thiadiazole-3-yl)-acetate
CID 54214287
Methyl 2-fluoromethoxyimino-2-(5-formamido-1,2,4-thiadiazole-3-yl)-acetate
CID 54364803
Methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate
CID 54570889
methyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-fluoroethoxyimino)acetate
CID 88500134
(2Z)-2-(fluoromethoxyimino)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid
CID 90003776

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate (CID 10923744) is methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate is CO/N=C(\C(=O)OC)c1nsc(NC(=O)OC)n1.
What is the InChIKey of methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate?
The InChIKey is HLNQSKHERPWCGV-WCIBSUBMSA-N. The full InChI is InChI=1S/C8H10N4O5S/c1-15-6(13)4(11-17-3)5-9-7(18-12-5)10-8(14)16-2/h1-3H3,(H,9,10,12,14)/b11-4-.
What are the key properties of methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate?
methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate has a molecular weight of 274.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 10923744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).