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

C4H4N2OS — CID 137201356

IUPACN-(1,2-thiazol-3-ylmethylidene)hydroxylamine
SMILESON=Cc1ccsn1
InChIInChI=1S/C4H4N2OS/c7-5-3-4-1-2-8-6-4/h1-3,7H
InChIKeyYUXAXXICVBPUPO-UHFFFAOYSA-N
MW128.16 g/mol
LogP0.95
Rot. Bonds1

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

N-(1,2-thiazol-3-ylmethylidene)hydroxylamine (PubChem CID 137201356) has the molecular formula C4H4N2OS and a molecular weight of 128.16 g/mol. Its IUPAC name is N-(1,2-thiazol-3-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1,2-thiazol-3-ylmethylidene)hydroxylamine
PubChem CID137201356
Molecular FormulaC4H4N2OS
Molecular Weight128.16 g/mol
Exact Mass128.00
IUPAC NameN-(1,2-thiazol-3-ylmethylidene)hydroxylamine
SMILESON=Cc1ccsn1
InChIInChI=1S/C4H4N2OS/c7-5-3-4-1-2-8-6-4/h1-3,7H
InChIKeyYUXAXXICVBPUPO-UHFFFAOYSA-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 N-(1,2-thiazol-3-ylmethylidene)hydroxylamine?
The IUPAC name of N-(1,2-thiazol-3-ylmethylidene)hydroxylamine (CID 137201356) is N-(1,2-thiazol-3-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(1,2-thiazol-3-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(1,2-thiazol-3-ylmethylidene)hydroxylamine is ON=Cc1ccsn1.
What is the InChIKey of N-(1,2-thiazol-3-ylmethylidene)hydroxylamine?
The InChIKey is YUXAXXICVBPUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS/c7-5-3-4-1-2-8-6-4/h1-3,7H.
What are the key properties of N-(1,2-thiazol-3-ylmethylidene)hydroxylamine?
N-(1,2-thiazol-3-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 N-(1,2-thiazol-3-ylmethylidene)hydroxylamine is sourced from PubChem (CID 137201356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).