N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide

C10H10N4O2S — CID 175971380

IUPACN'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide
SMILESCc1nnc(Oc2ccc(C(N)=NO)cc2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-12-13-10(17-6)16-8-4-2-7(3-5-8)9(11)14-15/h2-5,15H,1H3,(H2,11,14)
InChIKeyVMJUSYCQFWDAQB-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.73
Rot. Bonds3

About N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide

N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide (PubChem CID 175971380) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide
PubChem CID175971380
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide
SMILESCc1nnc(Oc2ccc(C(N)=NO)cc2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-12-13-10(17-6)16-8-4-2-7(3-5-8)9(11)14-15/h2-5,15H,1H3,(H2,11,14)
InChIKeyVMJUSYCQFWDAQB-UHFFFAOYSA-N
XLogP1.73
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.73
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

N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
4-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188261
4-[3-amino-5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]-N'-hydroxybenzenecarboximidamide
CID 87574257
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 43128315
4-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43621964
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide (CID 175971380) is N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide is Cc1nnc(Oc2ccc(C(N)=NO)cc2)s1.
What is the InChIKey of N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide?
The InChIKey is VMJUSYCQFWDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-12-13-10(17-6)16-8-4-2-7(3-5-8)9(11)14-15/h2-5,15H,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide?
N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide has a molecular weight of 250.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 175971380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).