N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide

C11H12N4OS — CID 76979406

IUPACN'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide
SMILESCN(c1cccc(C(N)=NO)c1)c1nccs1
InChIInChI=1S/C11H12N4OS/c1-15(11-13-5-6-17-11)9-4-2-3-8(7-9)10(12)14-16/h2-7,16H,1H3,(H2,12,14)
InChIKeyIRQFAFWJDDZYLX-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.01
Rot. Bonds3

About N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide

N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide (PubChem CID 76979406) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide
PubChem CID76979406
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide
SMILESCN(c1cccc(C(N)=NO)c1)c1nccs1
InChIInChI=1S/C11H12N4OS/c1-15(11-13-5-6-17-11)9-4-2-3-8(7-9)10(12)14-16/h2-7,16H,1H3,(H2,12,14)
InChIKeyIRQFAFWJDDZYLX-UHFFFAOYSA-N
XLogP2.01
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]benzenecarboximidamide
CID 107304614
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76979499
3-[1,3-benzoxazol-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979454
3-[(3,5-difluoro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 115993911
3-bromo-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 76932721
3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 76982250
3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 62971843
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 76979496
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide (CID 76979406) is N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide is CN(c1cccc(C(N)=NO)c1)c1nccs1.
What is the InChIKey of N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide?
The InChIKey is IRQFAFWJDDZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-15(11-13-5-6-17-11)9-4-2-3-8(7-9)10(12)14-16/h2-7,16H,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide?
N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide has a molecular weight of 248.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(1,3-thiazol-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 76979406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).