N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide

C10H11N5OS — CID 43187657

IUPACN'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
SMILESCn1ccnc1Sc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C10H11N5OS/c1-15-5-4-12-10(15)17-8-3-2-7(6-13-8)9(11)14-16/h2-6,16H,1H3,(H2,11,14)
InChIKeyQYHKEJJFQOVYON-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.06
Rot. Bonds3

About N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide

N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide (PubChem CID 43187657) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
PubChem CID43187657
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC NameN'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
SMILESCn1ccnc1Sc1ccc(/C(N)=N/O)cn1
InChIInChI=1S/C10H11N5OS/c1-15-5-4-12-10(15)17-8-3-2-7(6-13-8)9(11)14-16/h2-6,16H,1H3,(H2,11,14)
InChIKeyQYHKEJJFQOVYON-UHFFFAOYSA-N
XLogP1.06
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.06
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-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
N'-hydroxy-5-methyl-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 114017362
N'-hydroxy-4-(1-methylimidazol-2-yl)sulfanylquinoline-3-carboximidamide
CID 43669930
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 77070116
4-(1-methylimidazol-2-yl)sulfanylpyrimidine
CID 86123849
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
N'-hydroxy-6-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide
CID 43825679
N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
CID 77112983
N'-hydroxy-3-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 114482818
6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 60884933
N'-hydroxy-6-imidazol-1-ylpyridine-3-carboximidamide
CID 24699281

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide (CID 43187657) is N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide is Cn1ccnc1Sc1ccc(/C(N)=N/O)cn1.
What is the InChIKey of N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
The InChIKey is QYHKEJJFQOVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-15-5-4-12-10(15)17-8-3-2-7(6-13-8)9(11)14-16/h2-6,16H,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide?
N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide has a molecular weight of 249.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 43187657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).