4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide

C14H15N3S — CID 63881838

IUPAC4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ccccc2C)ccn1
InChIInChI=1S/C14H15N3S/c1-10-4-2-3-5-13(10)18-9-11-6-7-17-12(8-11)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyFRBDVLYSLSWQDB-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.97
Rot. Bonds4

About 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide

4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide (PubChem CID 63881838) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide
PubChem CID63881838
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ccccc2C)ccn1
InChIInChI=1S/C14H15N3S/c1-10-4-2-3-5-13(10)18-9-11-6-7-17-12(8-11)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyFRBDVLYSLSWQDB-UHFFFAOYSA-N
XLogP2.97
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881655
4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881662
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
4-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63883004
2-chloro-4-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 62298564
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 63880691
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 63882416

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide (CID 63881838) is 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CSc2ccccc2C)ccn1.
What is the InChIKey of 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide?
The InChIKey is FRBDVLYSLSWQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10-4-2-3-5-13(10)18-9-11-6-7-17-12(8-11)14(15)16/h2-8H,9H2,1H3,(H3,15,16).
What are the key properties of 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide?
4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide has a molecular weight of 257.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63881838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).