N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide

C6H6F3N3OS — CID 1221966

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3OS/c1-2-3-11-12-5(14-3)10-4(13)6(7,8)9/h2H2,1H3,(H,10,12,13)
InChIKeySSKDCDFUABQWLH-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.60
Rot. Bonds2

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 1221966) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID1221966
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3OS/c1-2-3-11-12-5(14-3)10-4(13)6(7,8)9/h2H2,1H3,(H,10,12,13)
InChIKeySSKDCDFUABQWLH-UHFFFAOYSA-N
XLogP1.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide (CID 1221966) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is CCc1nnc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is SSKDCDFUABQWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c1-2-3-11-12-5(14-3)10-4(13)6(7,8)9/h2H2,1H3,(H,10,12,13).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 225.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1221966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).