(NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine

C6H9N3OS — CID 126970839

IUPAC(NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(N)nc1C
InChIInChI=1S/C6H9N3OS/c1-3-5(4(2)9-10)11-6(7)8-3/h10H,1-2H3,(H2,7,8)/b9-4+
InChIKeyVHUDTXNSWRDGRC-RUDMXATFSA-N
MW171.22 g/mol
LogP1.23
Rot. Bonds1

About (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine

(NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (PubChem CID 126970839) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
PubChem CID126970839
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name(NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1sc(N)nc1C
InChIInChI=1S/C6H9N3OS/c1-3-5(4(2)9-10)11-6(7)8-3/h10H,1-2H3,(H2,7,8)/b9-4+
InChIKeyVHUDTXNSWRDGRC-RUDMXATFSA-N
XLogP1.23
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.23
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-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (CID 126970839) is (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is C/C(=N\O)c1sc(N)nc1C.
What is the InChIKey of (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is VHUDTXNSWRDGRC-RUDMXATFSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-3-5(4(2)9-10)11-6(7)8-3/h10H,1-2H3,(H2,7,8)/b9-4+.
What are the key properties of (NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 171.22 g/mol, XLogP of 1.23, 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-4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 126970839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).