methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate

C7H9N4O2PS — CID 91610042

IUPACmethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate
SMILESC=PCN=C(C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C7H9N4O2PS/c1-13-6(12)4(9-3-14-2)5-10-7(8)15-11-5/h2-3H2,1H3,(H2,8,10,11)
InChIKeyQABDILCMVLRXFN-UHFFFAOYSA-N
MW244.22 g/mol
LogP0.42
Rot. Bonds4

About methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate

methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate (PubChem CID 91610042) has the molecular formula C7H9N4O2PS and a molecular weight of 244.22 g/mol. Its IUPAC name is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate
PubChem CID91610042
Molecular FormulaC7H9N4O2PS
Molecular Weight244.22 g/mol
Exact Mass244.02
IUPAC Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate
SMILESC=PCN=C(C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C7H9N4O2PS/c1-13-6(12)4(9-3-14-2)5-10-7(8)15-11-5/h2-3H2,1H3,(H2,8,10,11)
InChIKeyQABDILCMVLRXFN-UHFFFAOYSA-N
XLogP0.42
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyiminoacetate
CID 59541610
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 14477682
methylsulfonyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetate
CID 136950450
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethyliminoacetic acid
CID 91057272
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetic acid;hydrate
CID 131719032
ethyl (2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopropyloxyiminoacetate
CID 22156252
2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
CID 54419439
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2-difluoroethoxyimino)acetic acid
CID 54451404
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hexoxyiminoacetic acid
CID 139612213
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-prop-2-ynoxyiminoacetic acid
CID 54294179
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-methylheptan-2-yloxyimino)acetic acid
CID 90453676
2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloro-2-oxoethylidene]amino]oxy-2-methylpropanoic acid;hydrochloride
CID 131737859

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate?
The IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate (CID 91610042) is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate.
What is the SMILES notation for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate?
The canonical SMILES for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate is C=PCN=C(C(=O)OC)c1nsc(N)n1.
What is the InChIKey of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate?
The InChIKey is QABDILCMVLRXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N4O2PS/c1-13-6(12)4(9-3-14-2)5-10-7(8)15-11-5/h2-3H2,1H3,(H2,8,10,11).
What are the key properties of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate?
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate has a molecular weight of 244.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate is sourced from PubChem (CID 91610042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).