O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride

C4H8ClN3OS — CID 70124560

IUPACO-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride
SMILESCc1nnsc1CON.Cl
InChIInChI=1S/C4H7N3OS.ClH/c1-3-4(2-8-5)9-7-6-3;/h2,5H2,1H3;1H
InChIKeyQRCWIDRMZMNZLP-UHFFFAOYSA-N
MW181.65 g/mol
LogP0.66
Rot. Bonds2

About O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride

O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride (PubChem CID 70124560) has the molecular formula C4H8ClN3OS and a molecular weight of 181.65 g/mol. Its IUPAC name is O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride
PubChem CID70124560
Molecular FormulaC4H8ClN3OS
Molecular Weight181.65 g/mol
Exact Mass181.01
IUPAC NameO-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride
SMILESCc1nnsc1CON.Cl
InChIInChI=1S/C4H7N3OS.ClH/c1-3-4(2-8-5)9-7-6-3;/h2,5H2,1H3;1H
InChIKeyQRCWIDRMZMNZLP-UHFFFAOYSA-N
XLogP0.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.65
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 18411623
CID 18411623
CID 15906646
CID 15906646
CID 18411640
CID 18411640
CID 20717878
CID 20717878
CID 58773013
CID 58773013
CID 58773021
CID 58773021
CID 121261755
CID 121261755
CID 70124561
CID 70124561
CID 86194181
CID 86194181
CID 130949525
CID 130949525

Frequently Asked Questions

What is the IUPAC name of O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride (CID 70124560) is O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride is Cc1nnsc1CON.Cl.
What is the InChIKey of O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride?
The InChIKey is QRCWIDRMZMNZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS.ClH/c1-3-4(2-8-5)9-7-6-3;/h2,5H2,1H3;1H.
What are the key properties of O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride?
O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride has a molecular weight of 181.65 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methylthiadiazol-5-yl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 70124560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).