2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide

C11H11BrN4S2 — CID 114884443

IUPAC2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Sc1nc(CC)ns1
InChIInChI=1S/C11H11BrN4S2/c1-2-8-15-11(18-16-8)17-7-5-3-4-6(12)9(7)10(13)14/h3-5H,2H2,1H3,(H3,13,14)
InChIKeyRHRYVHQEUOTQLV-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.30
Rot. Bonds4

About 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide

2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide (PubChem CID 114884443) has the molecular formula C11H11BrN4S2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
PubChem CID114884443
Molecular FormulaC11H11BrN4S2
Molecular Weight343.28 g/mol
Exact Mass341.96
IUPAC Name2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1Sc1nc(CC)ns1
InChIInChI=1S/C11H11BrN4S2/c1-2-8-15-11(18-16-8)17-7-5-3-4-6(12)9(7)10(13)14/h3-5H,2H2,1H3,(H3,13,14)
InChIKeyRHRYVHQEUOTQLV-UHFFFAOYSA-N
XLogP3.30
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide (CID 114884443) is 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1Sc1nc(CC)ns1.
What is the InChIKey of 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is RHRYVHQEUOTQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4S2/c1-2-8-15-11(18-16-8)17-7-5-3-4-6(12)9(7)10(13)14/h3-5H,2H2,1H3,(H3,13,14).
What are the key properties of 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide?
2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 343.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 114884443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).