(NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine

C5H7N3OS — CID 59146711

IUPAC(NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1csc(N)n1
InChIInChI=1S/C5H7N3OS/c1-3(8-9)4-2-10-5(6)7-4/h2,9H,1H3,(H2,6,7)/b8-3+
InChIKeyBUJNUJSCWOUYEV-FPYGCLRLSA-N
MW157.20 g/mol
LogP0.92
Rot. Bonds1

About (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine

(NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine (PubChem CID 59146711) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine
PubChem CID59146711
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name(NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1csc(N)n1
InChIInChI=1S/C5H7N3OS/c1-3(8-9)4-2-10-5(6)7-4/h2,9H,1H3,(H2,6,7)/b8-3+
InChIKeyBUJNUJSCWOUYEV-FPYGCLRLSA-N
XLogP0.92
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.92
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-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine (CID 59146711) is (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine is C/C(=N\O)c1csc(N)n1.
What is the InChIKey of (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine?
The InChIKey is BUJNUJSCWOUYEV-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3(8-9)4-2-10-5(6)7-4/h2,9H,1H3,(H2,6,7)/b8-3+.
What are the key properties of (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine has a molecular weight of 157.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-amino-1,3-thiazol-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 59146711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).