O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine

C11H10N4OS — CID 67543881

IUPACO-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine
SMILESNOCc1nc2cnc3cc(N)ccc3c2s1
InChIInChI=1S/C11H10N4OS/c12-6-1-2-7-8(3-6)14-4-9-11(7)17-10(15-9)5-16-13/h1-4H,5,12-13H2
InChIKeyITIIIKZNJKFLNR-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.82
Rot. Bonds2

About O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine

O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine (PubChem CID 67543881) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine
PubChem CID67543881
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC NameO-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine
SMILESNOCc1nc2cnc3cc(N)ccc3c2s1
InChIInChI=1S/C11H10N4OS/c12-6-1-2-7-8(3-6)14-4-9-11(7)17-10(15-9)5-16-13/h1-4H,5,12-13H2
InChIKeyITIIIKZNJKFLNR-UHFFFAOYSA-N
XLogP1.82
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-1,3-benzothiazol-2-yl)methoxy]ethanol
CID 45077316
3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)aniline
CID 65336796
9,10-dimethylphenanthridin-3-amine
CID 160985483
4,7-diaminoquinoline-3-carbohydrazide
CID 50877665
4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dichloroaniline
CID 104630885
2-(7-aminoquinolin-4-yl)oxyethanol
CID 103002211
4-(5-methylpyrimidin-2-yl)sulfanylquinolin-7-amine
CID 103002556
1,3-benzothiazol-2-ylmethyl 4-amino-2-methylbenzoate
CID 115610554
4-methylquinazolin-7-amine
CID 90920738
9-(4-aminophenyl)-10-methylphenanthridin-3-amine
CID 159192154
4-[3-(dimethylamino)propoxy]quinazolin-7-amine
CID 65336571
ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate
CID 43839924

Frequently Asked Questions

What is the IUPAC name of O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine (CID 67543881) is O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine is NOCc1nc2cnc3cc(N)ccc3c2s1.
What is the InChIKey of O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine?
The InChIKey is ITIIIKZNJKFLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-6-1-2-7-8(3-6)14-4-9-11(7)17-10(15-9)5-16-13/h1-4H,5,12-13H2.
What are the key properties of O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine?
O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine has a molecular weight of 246.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(7-amino-[1,3]thiazolo[4,5-c]quinolin-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 67543881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).