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

C4H3ClN2OS — CID 136821344

IUPAC(NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ncc(Cl)s1
InChIInChI=1S/C4H3ClN2OS/c5-3-1-6-4(9-3)2-7-8/h1-2,8H/b7-2+
InChIKeyLVHVXODFKRBYNI-FARCUNLSSA-N
MW162.60 g/mol
LogP1.60
Rot. Bonds1

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

(NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine (PubChem CID 136821344) has the molecular formula C4H3ClN2OS and a molecular weight of 162.60 g/mol. Its IUPAC name is (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine
PubChem CID136821344
Molecular FormulaC4H3ClN2OS
Molecular Weight162.60 g/mol
Exact Mass161.97
IUPAC Name(NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ncc(Cl)s1
InChIInChI=1S/C4H3ClN2OS/c5-3-1-6-4(9-3)2-7-8/h1-2,8H/b7-2+
InChIKeyLVHVXODFKRBYNI-FARCUNLSSA-N
XLogP1.60
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.60
LogP ≤ 51.60
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-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine (CID 136821344) is (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine is O/N=C/c1ncc(Cl)s1.
What is the InChIKey of (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine?
The InChIKey is LVHVXODFKRBYNI-FARCUNLSSA-N. The full InChI is InChI=1S/C4H3ClN2OS/c5-3-1-6-4(9-3)2-7-8/h1-2,8H/b7-2+.
What are the key properties of (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine has a molecular weight of 162.60 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-chloro-1,3-thiazol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136821344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).