3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C10H10N4O3S2 — CID 55009778

IUPAC3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C10H10N4O3S2/c1-19(16,17)8-3-6(2-7(11)4-8)9(15)13-10-14-12-5-18-10/h2-5H,11H2,1H3,(H,13,14,15)
InChIKeyGFMYLBMQWWFKND-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55009778) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55009778
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC Name3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C10H10N4O3S2/c1-19(16,17)8-3-6(2-7(11)4-8)9(15)13-10-14-12-5-18-10/h2-5H,11H2,1H3,(H,13,14,15)
InChIKeyGFMYLBMQWWFKND-UHFFFAOYSA-N
XLogP0.78
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 78985107
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide
CID 65486795
3-amino-5-methylsulfonyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894620
3-amino-5-methylsulfonyl-N-prop-2-ynylbenzamide
CID 55009391
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
3-amino-5-[2-(4-methyl-4,5-dihydro-1,3-thiazol-5-yl)ethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 89224170
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 102704945
4-pyrrolidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 9179278
3-amino-N-(2-methylsulfanylethyl)-5-methylsulfonylbenzamide
CID 63983246
4-[methoxy(methyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370312
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 55009778) is 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is CS(=O)(=O)c1cc(N)cc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GFMYLBMQWWFKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-19(16,17)8-3-6(2-7(11)4-8)9(15)13-10-14-12-5-18-10/h2-5H,11H2,1H3,(H,13,14,15).
What are the key properties of 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 298.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55009778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).