O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine

C9H9N3OS — CID 39241502

IUPACO-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine
SMILESNOCc1csc(-c2ccncc2)n1
InChIInChI=1S/C9H9N3OS/c10-13-5-8-6-14-9(12-8)7-1-3-11-4-2-7/h1-4,6H,5,10H2
InChIKeyKGNXMKAPADFSJR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.60
Rot. Bonds3

About O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine

O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine (PubChem CID 39241502) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine
PubChem CID39241502
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameO-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine
SMILESNOCc1csc(-c2ccncc2)n1
InChIInChI=1S/C9H9N3OS/c10-13-5-8-6-14-9(12-8)7-1-3-11-4-2-7/h1-4,6H,5,10H2
InChIKeyKGNXMKAPADFSJR-UHFFFAOYSA-N
XLogP1.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.60
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

O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 108780015
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride
CID 46224015
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
ethyl 3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]propanoate
CID 53397241
2,2-dimethyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749201
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
1-phenyl-3-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784372

Frequently Asked Questions

What is the IUPAC name of O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine (CID 39241502) is O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine is NOCc1csc(-c2ccncc2)n1.
What is the InChIKey of O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine?
The InChIKey is KGNXMKAPADFSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-13-5-8-6-14-9(12-8)7-1-3-11-4-2-7/h1-4,6H,5,10H2.
What are the key properties of O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine?
O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine has a molecular weight of 207.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 39241502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).