N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide

C19H15N3O2S — CID 163137065

IUPACN-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide
SMILES[O-][NH+](O)c1cccc(-c2csc(Nc3cccc4ccccc34)n2)c1
InChIInChI=1S/C19H15N3O2S/c23-22(24)15-8-3-7-14(11-15)18-12-25-19(21-18)20-17-10-4-6-13-5-1-2-9-16(13)17/h1-12,22-23H,(H,20,21)
InChIKeyIJDNLJKSMKRUSB-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.11
Rot. Bonds4

About N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide

N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide (PubChem CID 163137065) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide
PubChem CID163137065
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide
SMILES[O-][NH+](O)c1cccc(-c2csc(Nc3cccc4ccccc34)n2)c1
InChIInChI=1S/C19H15N3O2S/c23-22(24)15-8-3-7-14(11-15)18-12-25-19(21-18)20-17-10-4-6-13-5-1-2-9-16(13)17/h1-12,22-23H,(H,20,21)
InChIKeyIJDNLJKSMKRUSB-UHFFFAOYSA-N
XLogP4.11
TPSA72.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 126478088
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
CID 163174069
3-[2-[(3-amino-2-carbamoyl-3-oxoprop-1-enyl)amino]-1,3-thiazol-4-yl]-N-hydroxybenzeneamine oxide;hydrochloride
CID 21142785
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]benzonitrile
CID 153365704
4-[2-(2-ethylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 2177996
N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 2959231
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide?
The IUPAC name of N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide (CID 163137065) is N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide is [O-][NH+](O)c1cccc(-c2csc(Nc3cccc4ccccc34)n2)c1.
What is the InChIKey of N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide?
The InChIKey is IJDNLJKSMKRUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-22(24)15-8-3-7-14(11-15)18-12-25-19(21-18)20-17-10-4-6-13-5-1-2-9-16(13)17/h1-12,22-23H,(H,20,21).
What are the key properties of N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide?
N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide has a molecular weight of 349.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]benzeneamine oxide is sourced from PubChem (CID 163137065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).