(NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine

C4H5N3OS — CID 135789802

IUPAC(NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine
SMILESCc1nsc(/C=N\O)n1
InChIInChI=1S/C4H5N3OS/c1-3-6-4(2-5-8)9-7-3/h2,8H,1H3/b5-2-
InChIKeyLWXMAADTJDGJCB-DJWKRKHSSA-N
MW143.17 g/mol
LogP0.65
Rot. Bonds1

About (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine

(NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine (PubChem CID 135789802) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine
PubChem CID135789802
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name(NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine
SMILESCc1nsc(/C=N\O)n1
InChIInChI=1S/C4H5N3OS/c1-3-6-4(2-5-8)9-7-3/h2,8H,1H3/b5-2-
InChIKeyLWXMAADTJDGJCB-DJWKRKHSSA-N
XLogP0.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

Dimethyl-1,2,4-thiadiazole
CID 13028086
sodium (E)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-oxidomethanimine
CID 90674391
(NE)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine
CID 135972456
3-Methyl-5-(nitrosomethylidene)-2,5-dihydro-1,2,4-thiadiazole
CID 136271575
N-methyl-1-(5-methyl-1,2,4-thiadiazol-3-yl)methanimine
CID 142391717
(NE)-N-[(5-amino-1,2,4-thiadiazol-3-yl)methylidene]hydroxylamine
CID 144731041
3-Methyl-5-(nitrosomethyl)-1,2,4-thiadiazole
CID 54327379
(E)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-N-oxidomethanimine
CID 90674392

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine (CID 135789802) is (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine is Cc1nsc(/C=N\O)n1.
What is the InChIKey of (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine?
The InChIKey is LWXMAADTJDGJCB-DJWKRKHSSA-N. The full InChI is InChI=1S/C4H5N3OS/c1-3-6-4(2-5-8)9-7-3/h2,8H,1H3/b5-2-.
What are the key properties of (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine?
(NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine has a molecular weight of 143.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-methyl-1,2,4-thiadiazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135789802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).