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

C3H3F3N4O2S2 — CID 44571847

IUPAC2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESNS(=O)(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12)
InChIKeyOACDKBCLUXHEPC-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.17
Rot. Bonds2

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

2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 44571847) has the molecular formula C3H3F3N4O2S2 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID44571847
Molecular FormulaC3H3F3N4O2S2
Molecular Weight248.21 g/mol
Exact Mass247.96
IUPAC Name2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESNS(=O)(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12)
InChIKeyOACDKBCLUXHEPC-UHFFFAOYSA-N
XLogP0.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 44571847) is 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole is NS(=O)(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is OACDKBCLUXHEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12).
What are the key properties of 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 248.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfamoylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 44571847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).