(NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine

C4H4N2OS — CID 135407689

IUPAC(NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1nccs1
InChIInChI=1S/C4H4N2OS/c7-6-3-4-5-1-2-8-4/h1-3,7H/b6-3+
InChIKeyZOGBUYDVIGIHTP-ZZXKWVIFSA-N
MW128.16 g/mol
LogP0.95
Rot. Bonds1

About (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine

(NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine (PubChem CID 135407689) has the molecular formula C4H4N2OS and a molecular weight of 128.16 g/mol. Its IUPAC name is (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine
PubChem CID135407689
Molecular FormulaC4H4N2OS
Molecular Weight128.16 g/mol
Exact Mass128.00
IUPAC Name(NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1nccs1
InChIInChI=1S/C4H4N2OS/c7-6-3-4-5-1-2-8-4/h1-3,7H/b6-3+
InChIKeyZOGBUYDVIGIHTP-ZZXKWVIFSA-N
XLogP0.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine (CID 135407689) is (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine is O/N=C/c1nccs1.
What is the InChIKey of (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine?
The InChIKey is ZOGBUYDVIGIHTP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H4N2OS/c7-6-3-4-5-1-2-8-4/h1-3,7H/b6-3+.
What are the key properties of (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine?
(NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine has a molecular weight of 128.16 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,3-thiazol-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 135407689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).