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

C8H10F3N3OS3 — CID 78763701

IUPAC2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSc1nnc(SC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N3OS3/c1-4(5(15)12-3-8(9,10)11)17-7-14-13-6(16-2)18-7/h4H,3H2,1-2H3,(H,12,15)
InChIKeyZPZSGMTWHOGIMX-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.42
Rot. Bonds5

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

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78763701) has the molecular formula C8H10F3N3OS3 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78763701
Molecular FormulaC8H10F3N3OS3
Molecular Weight317.38 g/mol
Exact Mass316.99
IUPAC Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSc1nnc(SC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N3OS3/c1-4(5(15)12-3-8(9,10)11)17-7-14-13-6(16-2)18-7/h4H,3H2,1-2H3,(H,12,15)
InChIKeyZPZSGMTWHOGIMX-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 78763701) is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is CSc1nnc(SC(C)C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZPZSGMTWHOGIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS3/c1-4(5(15)12-3-8(9,10)11)17-7-14-13-6(16-2)18-7/h4H,3H2,1-2H3,(H,12,15).
What are the key properties of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 317.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78763701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).