2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C11H14N4O2S2 — CID 103171831

IUPAC2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2N)s1
InChIInChI=1S/C11H14N4O2S2/c1-6-4-5-7(2)10(9(6)12)19(16,17)15-11-14-13-8(3)18-11/h4-5H,12H2,1-3H3,(H,14,15)
InChIKeyLWJKRCCHRWXGCP-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 103171831) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID103171831
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2N)s1
InChIInChI=1S/C11H14N4O2S2/c1-6-4-5-7(2)10(9(6)12)19(16,17)15-11-14-13-8(3)18-11/h4-5H,12H2,1-3H3,(H,14,15)
InChIKeyLWJKRCCHRWXGCP-UHFFFAOYSA-N
XLogP1.85
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.85
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-4-fluoro-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116367596
5-amino-2-fluoro-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116367607
2-Amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 151406600
2-amino-3,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 103171057
2-amino-3,6-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 103171404
2-amino-3,6-dimethyl-N-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 103171677
2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 103171838
5-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082862
2-amino-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259696
2-amino-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259697
4-amino-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259722
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259735

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 103171831) is 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2N)s1.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is LWJKRCCHRWXGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-6-4-5-7(2)10(9(6)12)19(16,17)15-11-14-13-8(3)18-11/h4-5H,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 103171831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).