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

C12H14N4OS2 — CID 106792003

IUPAC2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2nc(C)ns2)cc1OC
InChIInChI=1S/C12H14N4OS2/c1-7-15-12(19-16-7)18-6-8-3-4-9(11(13)14)10(5-8)17-2/h3-5H,6H2,1-2H3,(H3,13,14)
InChIKeyZQOWQMWHCMEDQC-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.43
Rot. Bonds5

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

2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide (PubChem CID 106792003) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide
PubChem CID106792003
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2nc(C)ns2)cc1OC
InChIInChI=1S/C12H14N4OS2/c1-7-15-12(19-16-7)18-6-8-3-4-9(11(13)14)10(5-8)17-2/h3-5H,6H2,1-2H3,(H3,13,14)
InChIKeyZQOWQMWHCMEDQC-UHFFFAOYSA-N
XLogP2.43
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.43
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'}

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Related Compounds

4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791895
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
4-[(4-bromophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791920
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791846
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106791089
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345287
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
The IUPAC name of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide (CID 106792003) is 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
The canonical SMILES for 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CSc2nc(C)ns2)cc1OC.
What is the InChIKey of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
The InChIKey is ZQOWQMWHCMEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-7-15-12(19-16-7)18-6-8-3-4-9(11(13)14)10(5-8)17-2/h3-5H,6H2,1-2H3,(H3,13,14).
What are the key properties of 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide?
2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide has a molecular weight of 294.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide is sourced from PubChem (CID 106792003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).