O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine

C5H8N2OS — CID 59478424

IUPACO-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine
SMILESCc1ncc(CON)s1
InChIInChI=1S/C5H8N2OS/c1-4-7-2-5(9-4)3-8-6/h2H,3,6H2,1H3
InChIKeyDPSSKHIEXGVVBW-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.84
Rot. Bonds2

About O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine

O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine (PubChem CID 59478424) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine
PubChem CID59478424
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC NameO-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine
SMILESCc1ncc(CON)s1
InChIInChI=1S/C5H8N2OS/c1-4-7-2-5(9-4)3-8-6/h2H,3,6H2,1H3
InChIKeyDPSSKHIEXGVVBW-UHFFFAOYSA-N
XLogP0.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine (CID 59478424) is O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine is Cc1ncc(CON)s1.
What is the InChIKey of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine?
The InChIKey is DPSSKHIEXGVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-4-7-2-5(9-4)3-8-6/h2H,3,6H2,1H3.
What are the key properties of O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine?
O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine has a molecular weight of 144.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 59478424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).