(NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine

C4H5N3OS — CID 50989696

IUPAC(NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine
SMILESNc1ncc(/C=N/O)s1
InChIInChI=1S/C4H5N3OS/c5-4-6-1-3(9-4)2-7-8/h1-2,8H,(H2,5,6)/b7-2+
InChIKeyKUSDDQWDRVAMBR-FARCUNLSSA-N
MW143.17 g/mol
LogP0.53
Rot. Bonds1

About (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine

(NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine (PubChem CID 50989696) has the molecular formula C4H5N3OS and a molecular weight of 143.17 g/mol. Its IUPAC name is (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine
PubChem CID50989696
Molecular FormulaC4H5N3OS
Molecular Weight143.17 g/mol
Exact Mass143.02
IUPAC Name(NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine
SMILESNc1ncc(/C=N/O)s1
InChIInChI=1S/C4H5N3OS/c5-4-6-1-3(9-4)2-7-8/h1-2,8H,(H2,5,6)/b7-2+
InChIKeyKUSDDQWDRVAMBR-FARCUNLSSA-N
XLogP0.53
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.53
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine (CID 50989696) is (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine is Nc1ncc(/C=N/O)s1.
What is the InChIKey of (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The InChIKey is KUSDDQWDRVAMBR-FARCUNLSSA-N. The full InChI is InChI=1S/C4H5N3OS/c5-4-6-1-3(9-4)2-7-8/h1-2,8H,(H2,5,6)/b7-2+.
What are the key properties of (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine has a molecular weight of 143.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-amino-1,3-thiazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 50989696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).