4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide

C9H7BrN4S2 — CID 114905233

IUPAC4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Sc1ncns1
InChIInChI=1S/C9H7BrN4S2/c10-5-1-2-6(8(11)12)7(3-5)15-9-13-4-14-16-9/h1-4H,(H3,11,12)
InChIKeyMRMSFRCWXJHAQJ-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.74
Rot. Bonds3

About 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide

4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide (PubChem CID 114905233) has the molecular formula C9H7BrN4S2 and a molecular weight of 315.22 g/mol. Its IUPAC name is 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide
PubChem CID114905233
Molecular FormulaC9H7BrN4S2
Molecular Weight315.22 g/mol
Exact Mass313.93
IUPAC Name4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Sc1ncns1
InChIInChI=1S/C9H7BrN4S2/c10-5-1-2-6(8(11)12)7(3-5)15-9-13-4-14-16-9/h1-4H,(H3,11,12)
InChIKeyMRMSFRCWXJHAQJ-UHFFFAOYSA-N
XLogP2.74
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.74
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'}

Analyze 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzoic acid
CID 114896284
1-[5-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)phenyl]ethanol
CID 82973686
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
4-bromo-2-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 114905215
3-chloro-4-(1,2,4-thiadiazol-5-ylsulfanylmethyl)benzenecarboximidamide
CID 102668600
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922788
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
5-bromo-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 114893594
4-bromo-2-(tert-butylamino)benzenecarboximidamide
CID 114904558
4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzenecarboximidamide
CID 63092185

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide (CID 114905233) is 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1Sc1ncns1.
What is the InChIKey of 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide?
The InChIKey is MRMSFRCWXJHAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4S2/c10-5-1-2-6(8(11)12)7(3-5)15-9-13-4-14-16-9/h1-4H,(H3,11,12).
What are the key properties of 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide?
4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide has a molecular weight of 315.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,2,4-thiadiazol-5-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 114905233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).