N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide

C12H14N4OS — CID 114017362

IUPACN'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2nccn2C)c(/C(N)=N/O)c1
InChIInChI=1S/C12H14N4OS/c1-8-3-4-10(9(7-8)11(13)15-17)18-12-14-5-6-16(12)2/h3-7,17H,1-2H3,(H2,13,15)
InChIKeyYPIZLPFXXPGLOM-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.97
Rot. Bonds3

About N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide

N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide (PubChem CID 114017362) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
PubChem CID114017362
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2nccn2C)c(/C(N)=N/O)c1
InChIInChI=1S/C12H14N4OS/c1-8-3-4-10(9(7-8)11(13)15-17)18-12-14-5-6-16(12)2/h3-7,17H,1-2H3,(H2,13,15)
InChIKeyYPIZLPFXXPGLOM-UHFFFAOYSA-N
XLogP1.97
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.97
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

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107931097
N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 136689001
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 43187657
N'-hydroxy-4-(1-methylimidazol-2-yl)sulfanylquinoline-3-carboximidamide
CID 43669930
N'-hydroxy-5-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064
5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 62493763
N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
CID 76982032
2-(1-methylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153739
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43187799
N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107930079

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide (CID 114017362) is N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide is Cc1ccc(Sc2nccn2C)c(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
The InChIKey is YPIZLPFXXPGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-3-4-10(9(7-8)11(13)15-17)18-12-14-5-6-16(12)2/h3-7,17H,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide?
N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide has a molecular weight of 262.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 114017362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).