3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide

C13H18N4O2S2 — CID 107641359

IUPAC3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2c(C)cc(C)c(N)c2C)s1
InChIInChI=1S/C13H18N4O2S2/c1-5-10-15-16-13(20-10)17-21(18,19)12-8(3)6-7(2)11(14)9(12)4/h6H,5,14H2,1-4H3,(H,16,17)
InChIKeyDFZMPJRBCYZDPC-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide

3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 107641359) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID107641359
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2c(C)cc(C)c(N)c2C)s1
InChIInChI=1S/C13H18N4O2S2/c1-5-10-15-16-13(20-10)17-21(18,19)12-8(3)6-7(2)11(14)9(12)4/h6H,5,14H2,1-4H3,(H,16,17)
InChIKeyDFZMPJRBCYZDPC-UHFFFAOYSA-N
XLogP2.41
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.41
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

2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089812
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
3-(aminomethyl)-5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089839
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-sulfonamide
CID 106089733
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 71848825
3-amino-2,4,6-trimethyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114386974
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976
5-amino-4-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzenesulfonamide
CID 107641445
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide (CID 107641359) is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2c(C)cc(C)c(N)c2C)s1.
What is the InChIKey of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is DFZMPJRBCYZDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-5-10-15-16-13(20-10)17-21(18,19)12-8(3)6-7(2)11(14)9(12)4/h6H,5,14H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide?
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107641359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).