(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

C8H9F3N4O2S2 — CID 33227309

IUPAC(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESC[C@H](Sc1nncs1)C(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C8H9F3N4O2S2/c1-4(19-7-15-13-3-18-7)5(16)14-6(17)12-2-8(9,10)11/h3-4H,2H2,1H3,(H2,12,14,16,17)/t4-/m0/s1
InChIKeyOMAGHIYJIXDJMT-BYPYZUCNSA-N
MW314.31 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (PubChem CID 33227309) has the molecular formula C8H9F3N4O2S2 and a molecular weight of 314.31 g/mol. Its IUPAC name is (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
PubChem CID33227309
Molecular FormulaC8H9F3N4O2S2
Molecular Weight314.31 g/mol
Exact Mass314.01
IUPAC Name(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESC[C@H](Sc1nncs1)C(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C8H9F3N4O2S2/c1-4(19-7-15-13-3-18-7)5(16)14-6(17)12-2-8(9,10)11/h3-4H,2H2,1H3,(H2,12,14,16,17)/t4-/m0/s1
InChIKeyOMAGHIYJIXDJMT-BYPYZUCNSA-N
XLogP1.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46803104
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 32709495
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477
2-(3-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 122141662
(2S)-2-(4-cyanophenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 95326613
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95902307
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
N-(oxolan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 18078012
(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 95287144

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (CID 33227309) is (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is C[C@H](Sc1nncs1)C(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The InChIKey is OMAGHIYJIXDJMT-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H9F3N4O2S2/c1-4(19-7-15-13-3-18-7)5(16)14-6(17)12-2-8(9,10)11/h3-4H,2H2,1H3,(H2,12,14,16,17)/t4-/m0/s1.
What are the key properties of (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide has a molecular weight of 314.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is sourced from PubChem (CID 33227309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).