3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide

C10H9ClN4S2 — CID 102668600

IUPAC3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2ncns2)c(Cl)c1
InChIInChI=1S/C10H9ClN4S2/c11-8-3-6(9(12)13)1-2-7(8)4-16-10-14-5-15-17-10/h1-3,5H,4H2,(H3,12,13)
InChIKeySUFIZPUCFQQTDR-UHFFFAOYSA-N
MW284.80 g/mol
LogP2.77
Rot. Bonds4

About 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide

3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide (PubChem CID 102668600) has the molecular formula C10H9ClN4S2 and a molecular weight of 284.80 g/mol. Its IUPAC name is 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide
PubChem CID102668600
Molecular FormulaC10H9ClN4S2
Molecular Weight284.80 g/mol
Exact Mass284.00
IUPAC Name3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2ncns2)c(Cl)c1
InChIInChI=1S/C10H9ClN4S2/c11-8-3-6(9(12)13)1-2-7(8)4-16-10-14-5-15-17-10/h1-3,5H,4H2,(H3,12,13)
InChIKeySUFIZPUCFQQTDR-UHFFFAOYSA-N
XLogP2.77
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 52.77
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

3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668601
3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668557
3-chloro-4-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114000760
3-chloro-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668590
3-chloro-4-(hydroxymethyl)benzenecarboximidamide
CID 102668142
3-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzenecarboximidamide
CID 102668596
3-chloro-4-(propylsulfanylmethyl)benzenecarboximidamide
CID 102668541
3-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzenecarboximidamide
CID 102668545
4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide
CID 114905233
4-(benzimidazol-1-ylmethyl)-3-chlorobenzenecarboximidamide
CID 102668035
3-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790503
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide (CID 102668600) is 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CSc2ncns2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is SUFIZPUCFQQTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S2/c11-8-3-6(9(12)13)1-2-7(8)4-16-10-14-5-15-17-10/h1-3,5H,4H2,(H3,12,13).
What are the key properties of 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide?
3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 284.80 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 102668600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).