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

C4H5ClN2OS — CID 25137663

IUPACO-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine
SMILESNOCc1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2OS/c5-4-7-1-3(9-4)2-8-6/h1H,2,6H2
InChIKeyBLJLQXCPTWAOLB-UHFFFAOYSA-N
MW164.62 g/mol
LogP1.19
Rot. Bonds2

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

O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine (PubChem CID 25137663) has the molecular formula C4H5ClN2OS and a molecular weight of 164.62 g/mol. Its IUPAC name is O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine
PubChem CID25137663
Molecular FormulaC4H5ClN2OS
Molecular Weight164.62 g/mol
Exact Mass163.98
IUPAC NameO-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine
SMILESNOCc1cnc(Cl)s1
InChIInChI=1S/C4H5ClN2OS/c5-4-7-1-3(9-4)2-8-6/h1H,2,6H2
InChIKeyBLJLQXCPTWAOLB-UHFFFAOYSA-N
XLogP1.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.62
LogP ≤ 51.19
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-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine (CID 25137663) is O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine is NOCc1cnc(Cl)s1.
What is the InChIKey of O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine?
The InChIKey is BLJLQXCPTWAOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2OS/c5-4-7-1-3(9-4)2-8-6/h1H,2,6H2.
What are the key properties of O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine?
O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine has a molecular weight of 164.62 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-chloro-1,3-thiazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 25137663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).