N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide

C12H13N3O3S — CID 103567506

IUPACN'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(OCc2cncs2)cc(/C(N)=N/O)c1
InChIInChI=1S/C12H13N3O3S/c1-17-9-2-8(12(13)15-16)3-10(4-9)18-6-11-5-14-7-19-11/h2-5,7,16H,6H2,1H3,(H2,13,15)
InChIKeyQWBISJUWOZCFJV-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.83
Rot. Bonds5

About N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide

N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide (PubChem CID 103567506) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
PubChem CID103567506
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
SMILESCOc1cc(OCc2cncs2)cc(/C(N)=N/O)c1
InChIInChI=1S/C12H13N3O3S/c1-17-9-2-8(12(13)15-16)3-10(4-9)18-6-11-5-14-7-19-11/h2-5,7,16H,6H2,1H3,(H2,13,15)
InChIKeyQWBISJUWOZCFJV-UHFFFAOYSA-N
XLogP1.83
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chlorothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567558
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
3-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567546
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567608
N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 103567613
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
CID 103567567
ethane;5-(methoxymethyl)-1,3-thiazole
CID 144576341
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide (CID 103567506) is N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide is COc1cc(OCc2cncs2)cc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
The InChIKey is QWBISJUWOZCFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-17-9-2-8(12(13)15-16)3-10(4-9)18-6-11-5-14-7-19-11/h2-5,7,16H,6H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide has a molecular weight of 279.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 103567506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).