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

C10H10N4OS2 — CID 112580243

IUPAC3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
SMILESCc1nsc(Sc2c(N)cccc2C(N)=O)n1
InChIInChI=1S/C10H10N4OS2/c1-5-13-10(17-14-5)16-8-6(9(12)15)3-2-4-7(8)11/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyWVTNXXZWMSCPDS-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.68
Rot. Bonds3

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

3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide (PubChem CID 112580243) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
PubChem CID112580243
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
SMILESCc1nsc(Sc2c(N)cccc2C(N)=O)n1
InChIInChI=1S/C10H10N4OS2/c1-5-13-10(17-14-5)16-8-6(9(12)15)3-2-4-7(8)11/h2-4H,11H2,1H3,(H2,12,15)
InChIKeyWVTNXXZWMSCPDS-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

ethyl 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzoate
CID 112580244
2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
CID 115547709
3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
CID 112580185
3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
CID 112580007
3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-nitroaniline
CID 80895166
3-amino-2-naphthalen-2-ylsulfanylbenzamide
CID 115935939
3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-nitrobenzoic acid
CID 113332130
methyl 3-amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzoate
CID 112580023
3,5-dichloro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 106891371
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2,3-diaminobenzamide;hydrochloride
CID 118989521
3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 136985211

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
The IUPAC name of 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide (CID 112580243) is 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide.
What is the SMILES notation for 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
The canonical SMILES for 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide is Cc1nsc(Sc2c(N)cccc2C(N)=O)n1.
What is the InChIKey of 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
The InChIKey is WVTNXXZWMSCPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-5-13-10(17-14-5)16-8-6(9(12)15)3-2-4-7(8)11/h2-4H,11H2,1H3,(H2,12,15).
What are the key properties of 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide?
3-amino-2-[(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 3-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide is sourced from PubChem (CID 112580243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).