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

C9H10F3N3OS2 — CID 71983630

IUPAC2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnc(C2CC2)s1)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3OS2/c10-9(11,12)4-13-6(16)3-17-8-15-14-7(18-8)5-1-2-5/h5H,1-4H2,(H,13,16)
InChIKeyZPQZRFMIUJGQAO-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.19
Rot. Bonds5

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

2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71983630) has the molecular formula C9H10F3N3OS2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71983630
Molecular FormulaC9H10F3N3OS2
Molecular Weight297.33 g/mol
Exact Mass297.02
IUPAC Name2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nnc(C2CC2)s1)NCC(F)(F)F
InChIInChI=1S/C9H10F3N3OS2/c10-9(11,12)4-13-6(16)3-17-8-15-14-7(18-8)5-1-2-5/h5H,1-4H2,(H,13,16)
InChIKeyZPQZRFMIUJGQAO-UHFFFAOYSA-N
XLogP2.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 71983630) is 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1nnc(C2CC2)s1)NCC(F)(F)F.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZPQZRFMIUJGQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS2/c10-9(11,12)4-13-6(16)3-17-8-15-14-7(18-8)5-1-2-5/h5H,1-4H2,(H,13,16).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 297.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71983630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).