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

C6H8N2OS — CID 15615452

IUPAC(NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1scnc1C
InChIInChI=1S/C6H8N2OS/c1-4-6(5(2)8-9)10-3-7-4/h3,9H,1-2H3/b8-5+
InChIKeyCVPHKJGYQNSBBU-VMPITWQZSA-N
MW156.21 g/mol
LogP1.65
Rot. Bonds1

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

(NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (PubChem CID 15615452) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
PubChem CID15615452
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name(NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1scnc1C
InChIInChI=1S/C6H8N2OS/c1-4-6(5(2)8-9)10-3-7-4/h3,9H,1-2H3/b8-5+
InChIKeyCVPHKJGYQNSBBU-VMPITWQZSA-N
XLogP1.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.65
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-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine (CID 15615452) is (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is C/C(=N\O)c1scnc1C.
What is the InChIKey of (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is CVPHKJGYQNSBBU-VMPITWQZSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-6(5(2)8-9)10-3-7-4/h3,9H,1-2H3/b8-5+.
What are the key properties of (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 156.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 15615452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).