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

C4H8N4O2S2 — CID 25154730

IUPAC2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole
SMILESCCc1nnc(NS(N)(=O)=O)s1
InChIInChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
InChIKeyHVRGNGCSIVHKLU-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.28
Rot. Bonds3

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

2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole (PubChem CID 25154730) has the molecular formula C4H8N4O2S2 and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole
PubChem CID25154730
Molecular FormulaC4H8N4O2S2
Molecular Weight208.27 g/mol
Exact Mass208.01
IUPAC Name2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole
SMILESCCc1nnc(NS(N)(=O)=O)s1
InChIInChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
InChIKeyHVRGNGCSIVHKLU-UHFFFAOYSA-N
XLogP-0.28
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole (CID 25154730) is 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole is CCc1nnc(NS(N)(=O)=O)s1.
What is the InChIKey of 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
The InChIKey is HVRGNGCSIVHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10).
What are the key properties of 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole?
2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole has a molecular weight of 208.27 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(sulfamoylamino)-1,3,4-thiadiazole is sourced from PubChem (CID 25154730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).