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

C10H10N2OS — CID 39241198

IUPACO-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
SMILESNOCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H10N2OS/c11-13-6-10-12-9(7-14-10)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKeyKIWCACMZHHHPAF-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.20
Rot. Bonds3

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

O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine (PubChem CID 39241198) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
PubChem CID39241198
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameO-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
SMILESNOCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H10N2OS/c11-13-6-10-12-9(7-14-10)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKeyKIWCACMZHHHPAF-UHFFFAOYSA-N
XLogP2.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.20
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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Related Compounds

2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
CID 2747349
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
4-(4-phenyl-1,3-thiazol-2-yl)but-2-yn-1-ol
CID 79817698
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
methyl (4-phenyl-1,3-thiazol-2-yl)methanesulfonate
CID 175209134
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621

Frequently Asked Questions

What is the IUPAC name of O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine (CID 39241198) is O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine is NOCc1nc(-c2ccccc2)cs1.
What is the InChIKey of O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine?
The InChIKey is KIWCACMZHHHPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-13-6-10-12-9(7-14-10)8-4-2-1-3-5-8/h1-5,7H,6,11H2.
What are the key properties of O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine?
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine has a molecular weight of 206.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 39241198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).