2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole

C6H9F3N4O2S2 — CID 110190101

IUPAC2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCNS(=O)(=O)N(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H9F3N4O2S2/c1-3-10-17(14,15)13(2)5-12-11-4(16-5)6(7,8)9/h10H,3H2,1-2H3
InChIKeyWJAGVJOFJGZDIO-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.85
Rot. Bonds4

About 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole

2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 110190101) has the molecular formula C6H9F3N4O2S2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID110190101
Molecular FormulaC6H9F3N4O2S2
Molecular Weight290.29 g/mol
Exact Mass290.01
IUPAC Name2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCCNS(=O)(=O)N(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H9F3N4O2S2/c1-3-10-17(14,15)13(2)5-12-11-4(16-5)6(7,8)9/h10H,3H2,1-2H3
InChIKeyWJAGVJOFJGZDIO-UHFFFAOYSA-N
XLogP0.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 110190101) is 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole is CCNS(=O)(=O)N(C)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is WJAGVJOFJGZDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S2/c1-3-10-17(14,15)13(2)5-12-11-4(16-5)6(7,8)9/h10H,3H2,1-2H3.
What are the key properties of 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 290.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfamoyl(methyl)amino]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 110190101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).