2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

C7H8F3N3OS2 — CID 78765258

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nnc(SCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS2/c1-4-12-13-6(16-4)15-2-5(14)11-3-7(8,9)10/h2-3H2,1H3,(H,11,14)
InChIKeyVQNUFSPFKYRVBS-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.62
Rot. Bonds4

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78765258) has the molecular formula C7H8F3N3OS2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78765258
Molecular FormulaC7H8F3N3OS2
Molecular Weight271.29 g/mol
Exact Mass271.01
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nnc(SCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS2/c1-4-12-13-6(16-4)15-2-5(14)11-3-7(8,9)10/h2-3H2,1H3,(H,11,14)
InChIKeyVQNUFSPFKYRVBS-UHFFFAOYSA-N
XLogP1.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 78765258) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nnc(SCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VQNUFSPFKYRVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS2/c1-4-12-13-6(16-4)15-2-5(14)11-3-7(8,9)10/h2-3H2,1H3,(H,11,14).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 271.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78765258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).