2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide

C11H12N4OS — CID 62253648

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CSc1nnc(C)o1
InChIInChI=1S/C11H12N4OS/c1-7-14-15-11(16-7)17-6-8-4-2-3-5-9(8)10(12)13/h2-5H,6H2,1H3,(H3,12,13)
InChIKeyMIYOCVJKBICQRV-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.95
Rot. Bonds4

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide (PubChem CID 62253648) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
PubChem CID62253648
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CSc1nnc(C)o1
InChIInChI=1S/C11H12N4OS/c1-7-14-15-11(16-7)17-6-8-4-2-3-5-9(8)10(12)13/h2-5H,6H2,1H3,(H3,12,13)
InChIKeyMIYOCVJKBICQRV-UHFFFAOYSA-N
XLogP1.95
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.95
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'}

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 5001838
3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 62253113
3-[(2-methylphenyl)methylsulfanyl]pyridazine-4-carboximidamide
CID 80515710
2-[(4-methylsulfonylphenyl)sulfanylmethyl]benzenecarboximidamide
CID 63238309
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 62873912
5-fluoro-N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 76994451
2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2937782
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
CID 62254011
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398
4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 55113355
2-fluoro-3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118487
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide (CID 62253648) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CSc1nnc(C)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The InChIKey is MIYOCVJKBICQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-14-15-11(16-7)17-6-8-4-2-3-5-9(8)10(12)13/h2-5H,6H2,1H3,(H3,12,13).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide has a molecular weight of 248.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide is sourced from PubChem (CID 62253648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).