(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide

C6H6F3N3OS2 — CID 51726125

IUPAC(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESC[C@@H](SC(F)(F)F)C(=O)Nc1nncs1
InChIInChI=1S/C6H6F3N3OS2/c1-3(15-6(7,8)9)4(13)11-5-12-10-2-14-5/h2-3H,1H3,(H,11,12,13)/t3-/m1/s1
InChIKeyATYSOYPFKYLGGY-GSVOUGTGSA-N
MW257.26 g/mol
LogP2.12
Rot. Bonds3

About (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide

(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide (PubChem CID 51726125) has the molecular formula C6H6F3N3OS2 and a molecular weight of 257.26 g/mol. Its IUPAC name is (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
PubChem CID51726125
Molecular FormulaC6H6F3N3OS2
Molecular Weight257.26 g/mol
Exact Mass256.99
IUPAC Name(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESC[C@@H](SC(F)(F)F)C(=O)Nc1nncs1
InChIInChI=1S/C6H6F3N3OS2/c1-3(15-6(7,8)9)4(13)11-5-12-10-2-14-5/h2-3H,1H3,(H,11,12,13)/t3-/m1/s1
InChIKeyATYSOYPFKYLGGY-GSVOUGTGSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 79196071
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)propanamide
CID 42959299
N-(4-fluorophenyl)-2-(trifluoromethylsulfanyl)propanamide
CID 169302914
2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 3453475
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370496
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 51958490

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide (CID 51726125) is (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide is C[C@@H](SC(F)(F)F)C(=O)Nc1nncs1.
What is the InChIKey of (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The InChIKey is ATYSOYPFKYLGGY-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H6F3N3OS2/c1-3(15-6(7,8)9)4(13)11-5-12-10-2-14-5/h2-3H,1H3,(H,11,12,13)/t3-/m1/s1.
What are the key properties of (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide has a molecular weight of 257.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 51726125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).