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

C7H9F3N4OS2 — CID 25381621

IUPAC(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Sc1nnc(N)s1)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4OS2/c1-3(4(15)12-2-7(8,9)10)16-6-14-13-5(11)17-6/h3H,2H2,1H3,(H2,11,13)(H,12,15)/t3-/m1/s1
InChIKeyFVVHHTXKMZILGM-GSVOUGTGSA-N
MW286.30 g/mol
LogP1.28
Rot. Bonds4

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

(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 25381621) has the molecular formula C7H9F3N4OS2 and a molecular weight of 286.30 g/mol. Its IUPAC name is (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID25381621
Molecular FormulaC7H9F3N4OS2
Molecular Weight286.30 g/mol
Exact Mass286.02
IUPAC Name(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Sc1nnc(N)s1)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H9F3N4OS2/c1-3(4(15)12-2-7(8,9)10)16-6-14-13-5(11)17-6/h3H,2H2,1H3,(H2,11,13)(H,12,15)/t3-/m1/s1
InChIKeyFVVHHTXKMZILGM-GSVOUGTGSA-N
XLogP1.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-isopropyl-acetamide
CID 8633017
2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-isobutylacetamide
CID 16524208
2-[[5-(2,2,2-Trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 47086617
2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2501577
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8228901
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8351980
2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8910918
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 16380115
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 16500054
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 17393461
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18101357
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18278457

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 25381621) is (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](Sc1nnc(N)s1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is FVVHHTXKMZILGM-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H9F3N4OS2/c1-3(4(15)12-2-7(8,9)10)16-6-14-13-5(11)17-6/h3H,2H2,1H3,(H2,11,13)(H,12,15)/t3-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 286.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 25381621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).