2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide

C10H10N4OS2 — CID 115547709

IUPAC2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
SMILESCc1nsc(Sc2cccc(C(N)=O)c2N)n1
InChIInChI=1S/C10H10N4OS2/c1-5-13-10(17-14-5)16-7-4-2-3-6(8(7)11)9(12)15/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyJIKBHRFVVBLVDJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide

2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide (PubChem CID 115547709) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
PubChem CID115547709
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
SMILESCc1nsc(Sc2cccc(C(N)=O)c2N)n1
InChIInChI=1S/C10H10N4OS2/c1-5-13-10(17-14-5)16-7-4-2-3-6(8(7)11)9(12)15/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyJIKBHRFVVBLVDJ-UHFFFAOYSA-N
XLogP1.68
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
CID 112580243
3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-nitrobenzoic acid
CID 113332130
2-amino-3-(4-methylphenyl)sulfanylbenzamide
CID 113333397
3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-nitroaniline
CID 80895166
2-amino-3-methylsulfanylbenzamide
CID 115547557
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
CID 106948847
2-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzoic acid
CID 115547475
4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 82898337
2-amino-3-(1,3-benzothiazol-2-ylsulfanyl)benzoic acid
CID 115547402
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2,3-diaminobenzamide;hydrochloride
CID 118989521
5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 103287963

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
The IUPAC name of 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide (CID 115547709) is 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide.
What is the SMILES notation for 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
The canonical SMILES for 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide is Cc1nsc(Sc2cccc(C(N)=O)c2N)n1.
What is the InChIKey of 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
The InChIKey is JIKBHRFVVBLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-5-13-10(17-14-5)16-7-4-2-3-6(8(7)11)9(12)15/h2-4H,11H2,1H3,(H2,12,15).
What are the key properties of 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide has a molecular weight of 266.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide is sourced from PubChem (CID 115547709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).