5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide

C9H10N4O2S2 — CID 154941596

IUPAC5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCc2ccccc2)s1
InChIInChI=1S/C9H10N4O2S2/c10-17(14,15)9-13-12-8(16-9)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)(H2,10,14,15)
InChIKeyCDEDQURFKQEOFI-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.80
Rot. Bonds4

About 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide

5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 154941596) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID154941596
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NCc2ccccc2)s1
InChIInChI=1S/C9H10N4O2S2/c10-17(14,15)9-13-12-8(16-9)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)(H2,10,14,15)
InChIKeyCDEDQURFKQEOFI-UHFFFAOYSA-N
XLogP0.80
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide (CID 154941596) is 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(NCc2ccccc2)s1.
What is the InChIKey of 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is CDEDQURFKQEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c10-17(14,15)9-13-12-8(16-9)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)(H2,10,14,15).
What are the key properties of 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide?
5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 270.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 154941596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).