N-(1,3-thiazol-5-ylmethyl)hydroxylamine

C4H6N2OS — CID 82687431

IUPACN-(1,3-thiazol-5-ylmethyl)hydroxylamine
SMILESONCc1cncs1
InChIInChI=1S/C4H6N2OS/c7-6-2-4-1-5-3-8-4/h1,3,6-7H,2H2
InChIKeyIPHFDGVEJKQTDI-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.62
Rot. Bonds2

About N-(1,3-thiazol-5-ylmethyl)hydroxylamine

N-(1,3-thiazol-5-ylmethyl)hydroxylamine (PubChem CID 82687431) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)hydroxylamine
PubChem CID82687431
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC NameN-(1,3-thiazol-5-ylmethyl)hydroxylamine
SMILESONCc1cncs1
InChIInChI=1S/C4H6N2OS/c7-6-2-4-1-5-3-8-4/h1,3,6-7H,2H2
InChIKeyIPHFDGVEJKQTDI-UHFFFAOYSA-N
XLogP0.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.62
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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Related Compounds

2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine
CID 143609838
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
CID 104874351
(3R)-3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 103854616
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557
3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 81421993
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 115732524

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)hydroxylamine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)hydroxylamine (CID 82687431) is N-(1,3-thiazol-5-ylmethyl)hydroxylamine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)hydroxylamine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)hydroxylamine is ONCc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)hydroxylamine?
The InChIKey is IPHFDGVEJKQTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c7-6-2-4-1-5-3-8-4/h1,3,6-7H,2H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)hydroxylamine?
N-(1,3-thiazol-5-ylmethyl)hydroxylamine has a molecular weight of 130.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)hydroxylamine is sourced from PubChem (CID 82687431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).