5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide

C10H11N5S — CID 115490097

IUPAC5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nccn2C)cn1
InChIInChI=1S/C10H11N5S/c1-15-5-4-13-10(15)16-7-2-3-8(9(11)12)14-6-7/h2-6H,1H3,(H3,11,12)
InChIKeyIUIXEDMQZVTVKN-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.25
Rot. Bonds3

About 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide

5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide (PubChem CID 115490097) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
PubChem CID115490097
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nccn2C)cn1
InChIInChI=1S/C10H11N5S/c1-15-5-4-13-10(15)16-7-2-3-8(9(11)12)14-6-7/h2-6H,1H3,(H3,11,12)
InChIKeyIUIXEDMQZVTVKN-UHFFFAOYSA-N
XLogP1.25
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.25
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'}

Analyze 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
CID 112736289
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 62493763
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
2-(1-methylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153739
5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490148
2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 81052305
4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 61176360
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490183
2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
CID 43436429

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide?
The IUPAC name of 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide (CID 115490097) is 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide?
The canonical SMILES for 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Sc2nccn2C)cn1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide?
The InChIKey is IUIXEDMQZVTVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-15-5-4-13-10(15)16-7-2-3-8(9(11)12)14-6-7/h2-6H,1H3,(H3,11,12).
What are the key properties of 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide?
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide has a molecular weight of 233.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 115490097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).