N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C6H7F3N4OS — CID 114912254

IUPACN-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnns1
InChIInChI=1S/C6H7F3N4OS/c7-6(8,9)3-10-1-4(14)12-5-2-11-13-15-5/h2,10H,1,3H2,(H,12,14)
InChIKeyLGXNEGWBNVQRJZ-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.63
Rot. Bonds4

About N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 114912254) has the molecular formula C6H7F3N4OS and a molecular weight of 240.21 g/mol. Its IUPAC name is N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID114912254
Molecular FormulaC6H7F3N4OS
Molecular Weight240.21 g/mol
Exact Mass240.03
IUPAC NameN-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnns1
InChIInChI=1S/C6H7F3N4OS/c7-6(8,9)3-10-1-4(14)12-5-2-11-13-15-5/h2,10H,1,3H2,(H,12,14)
InChIKeyLGXNEGWBNVQRJZ-UHFFFAOYSA-N
XLogP0.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 114912254) is N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cnns1.
What is the InChIKey of N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LGXNEGWBNVQRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4OS/c7-6(8,9)3-10-1-4(14)12-5-2-11-13-15-5/h2,10H,1,3H2,(H,12,14).
What are the key properties of N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 240.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 114912254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).