N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine

C3H6N2OS — CID 20532358

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine
SMILESONC1=NCCS1
InChIInChI=1S/C3H6N2OS/c6-5-3-4-1-2-7-3/h6H,1-2H2,(H,4,5)
InChIKeyKWXBAGLRYLAIHX-UHFFFAOYSA-N
MW118.16 g/mol
LogP0.07
Rot. Bonds

About N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine

N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine (PubChem CID 20532358) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine
PubChem CID20532358
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine
SMILESONC1=NCCS1
InChIInChI=1S/C3H6N2OS/c6-5-3-4-1-2-7-3/h6H,1-2H2,(H,4,5)
InChIKeyKWXBAGLRYLAIHX-UHFFFAOYSA-N
XLogP0.07
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
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 N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine (CID 20532358) is N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine is ONC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine?
The InChIKey is KWXBAGLRYLAIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2OS/c6-5-3-4-1-2-7-3/h6H,1-2H2,(H,4,5).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine?
N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine has a molecular weight of 118.16 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)hydroxylamine is sourced from PubChem (CID 20532358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).