(NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine

C5H7N2OS+ — CID 135705603

IUPAC(NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine
SMILESC[n+]1sccc1/C=N/O
InChIInChI=1S/C5H6N2OS/c1-7-5(4-6-8)2-3-9-7/h2-4H,1H3/p+1
InChIKeyFOSBBOWEUDHXRT-UHFFFAOYSA-O
MW143.19 g/mol
LogP0.38
Rot. Bonds1

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

(NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine (PubChem CID 135705603) has the molecular formula C5H7N2OS+ and a molecular weight of 143.19 g/mol. Its IUPAC name is (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine
PubChem CID135705603
Molecular FormulaC5H7N2OS+
Molecular Weight143.19 g/mol
Exact Mass143.03
IUPAC Name(NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine
SMILESC[n+]1sccc1/C=N/O
InChIInChI=1S/C5H6N2OS/c1-7-5(4-6-8)2-3-9-7/h2-4H,1H3/p+1
InChIKeyFOSBBOWEUDHXRT-UHFFFAOYSA-O
XLogP0.38
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine (CID 135705603) is (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine is C[n+]1sccc1/C=N/O.
What is the InChIKey of (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine?
The InChIKey is FOSBBOWEUDHXRT-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N2OS/c1-7-5(4-6-8)2-3-9-7/h2-4H,1H3/p+1.
What are the key properties of (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine?
(NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine has a molecular weight of 143.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135705603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).