2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole

C8H8N4O2S2 — CID 44571849

IUPAC2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole
SMILESNS(=O)(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14)
InChIKeyAYAZOMSTWAJWHN-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.82
Rot. Bonds3

About 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole

2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole (PubChem CID 44571849) has the molecular formula C8H8N4O2S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole
PubChem CID44571849
Molecular FormulaC8H8N4O2S2
Molecular Weight256.31 g/mol
Exact Mass256.01
IUPAC Name2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole
SMILESNS(=O)(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14)
InChIKeyAYAZOMSTWAJWHN-UHFFFAOYSA-N
XLogP0.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole (CID 44571849) is 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole is NS(=O)(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
The InChIKey is AYAZOMSTWAJWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14).
What are the key properties of 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole has a molecular weight of 256.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(sulfamoylamino)-1,3,4-thiadiazole is sourced from PubChem (CID 44571849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).