(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate

C6H10N4O3S — CID 143957938

IUPAC(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate
SMILESC/C(=N/O)c1nsc(N)n1.COC=O
InChIInChI=1S/C4H6N4OS.C2H4O2/c1-2(7-9)3-6-4(5)10-8-3;1-4-2-3/h9H,1H3,(H2,5,6,8);2H,1H3/b7-2-;
InChIKeyXYHAJSZEQGFNIP-YMWUIOJXSA-N
MW218.24 g/mol
LogP0.11
Rot. Bonds2

About (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate

(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate (PubChem CID 143957938) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate.

Molecular Properties

Compound Name(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate
PubChem CID143957938
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC Name(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate
SMILESC/C(=N/O)c1nsc(N)n1.COC=O
InChIInChI=1S/C4H6N4OS.C2H4O2/c1-2(7-9)3-6-4(5)10-8-3;1-4-2-3/h9H,1H3,(H2,5,6,8);2H,1H3/b7-2-;
InChIKeyXYHAJSZEQGFNIP-YMWUIOJXSA-N
XLogP0.11
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
(3E)-5-amino-N-methoxy-1,2,4-thiadiazole-3-carboximidoyl cyanide
CID 13069152
2-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 18640128
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde
CID 173377652
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(methylidenephosphanylmethylimino)acetate
CID 91610042
3-[(E)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxypropanoic acid
CID 173411363
2-[[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxyacetic acid
CID 54419439
ethyl (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetate
CID 14477682
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-[(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 (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate?
The IUPAC name of (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate (CID 143957938) is (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate.
What is the SMILES notation for (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate?
The canonical SMILES for (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate is C/C(=N/O)c1nsc(N)n1.COC=O.
What is the InChIKey of (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate?
The InChIKey is XYHAJSZEQGFNIP-YMWUIOJXSA-N. The full InChI is InChI=1S/C4H6N4OS.C2H4O2/c1-2(7-9)3-6-4(5)10-8-3;1-4-2-3/h9H,1H3,(H2,5,6,8);2H,1H3/b7-2-;.
What are the key properties of (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate?
(NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate has a molecular weight of 218.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(5-amino-1,2,4-thiadiazol-3-yl)ethylidene]hydroxylamine;methyl formate is sourced from PubChem (CID 143957938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).