5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide

C7H11N7O2S2 — CID 106303562

IUPAC5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H11N7O2S2/c1-2-14-4-9-11-5(14)3-10-18(15,16)7-13-12-6(8)17-7/h4,10H,2-3H2,1H3,(H2,8,12)
InChIKeyFHZNJQKPHOLPAV-UHFFFAOYSA-N
MW289.35 g/mol
LogP-0.79
Rot. Bonds5

About 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 106303562) has the molecular formula C7H11N7O2S2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID106303562
Molecular FormulaC7H11N7O2S2
Molecular Weight289.35 g/mol
Exact Mass289.04
IUPAC Name5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H11N7O2S2/c1-2-14-4-9-11-5(14)3-10-18(15,16)7-13-12-6(8)17-7/h4,10H,2-3H2,1H3,(H2,8,12)
InChIKeyFHZNJQKPHOLPAV-UHFFFAOYSA-N
XLogP-0.79
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydrazinylbenzenesulfonamide
CID 114170893
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106302320
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 114170773
5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 106301764
5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyltriazole-4-sulfonamide
CID 106898518
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383282
5-amino-3-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-fluorobenzenesulfonamide
CID 106301754
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 47064982
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)benzenesulfonamide
CID 106304082
5-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylfuran-3-sulfonamide
CID 106304313
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383199
3-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbenzenesulfonamide
CID 106304354

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide (CID 106303562) is 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is CCn1cnnc1CNS(=O)(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is FHZNJQKPHOLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7O2S2/c1-2-14-4-9-11-5(14)3-10-18(15,16)7-13-12-6(8)17-7/h4,10H,2-3H2,1H3,(H2,8,12).
What are the key properties of 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 289.35 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 106303562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).