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

C8H11F3N4OS2 — CID 18278457

IUPAC2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNc1nnc(SC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N4OS2/c1-4(5(16)13-3-8(9,10)11)17-7-15-14-6(12-2)18-7/h4H,3H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyOVIGLKXLEXTRIG-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.74
Rot. Bonds5

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

2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 18278457) has the molecular formula C8H11F3N4OS2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID18278457
Molecular FormulaC8H11F3N4OS2
Molecular Weight300.33 g/mol
Exact Mass300.03
IUPAC Name2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNc1nnc(SC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N4OS2/c1-4(5(16)13-3-8(9,10)11)17-7-15-14-6(12-2)18-7/h4H,3H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyOVIGLKXLEXTRIG-UHFFFAOYSA-N
XLogP1.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 18278457) is 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is CNc1nnc(SC(C)C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OVIGLKXLEXTRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS2/c1-4(5(16)13-3-8(9,10)11)17-7-15-14-6(12-2)18-7/h4H,3H2,1-2H3,(H,12,14)(H,13,16).
What are the key properties of 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 300.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 18278457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).