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

C8H10F3N3OS2 — CID 95902307

IUPAC(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nnc(S[C@@H](C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N3OS2/c1-4(6(15)12-3-8(9,10)11)16-7-14-13-5(2)17-7/h4H,3H2,1-2H3,(H,12,15)/t4-/m0/s1
InChIKeyYBUAHXWPDBFTBJ-BYPYZUCNSA-N
MW285.32 g/mol
LogP2.01
Rot. Bonds4

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

(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95902307) has the molecular formula C8H10F3N3OS2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95902307
Molecular FormulaC8H10F3N3OS2
Molecular Weight285.32 g/mol
Exact Mass285.02
IUPAC Name(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nnc(S[C@@H](C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C8H10F3N3OS2/c1-4(6(15)12-3-8(9,10)11)16-7-14-13-5(2)17-7/h4H,3H2,1-2H3,(H,12,15)/t4-/m0/s1
InChIKeyYBUAHXWPDBFTBJ-BYPYZUCNSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40705970
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23942509
N-tert-butyl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48924485
(2S)-N-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40678669
(2R)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890353
N-butan-2-yl-2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 48915206
ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 3170095
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
2-[[5-(2,2,2-trifluoroethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 60605149
(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 33227309
N-(1-adamantyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 51141774
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 95902307) is (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is Cc1nnc(S[C@@H](C)C(=O)NCC(F)(F)F)s1.
What is the InChIKey of (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YBUAHXWPDBFTBJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10F3N3OS2/c1-4(6(15)12-3-8(9,10)11)16-7-14-13-5(2)17-7/h4H,3H2,1-2H3,(H,12,15)/t4-/m0/s1.
What are the key properties of (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 285.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95902307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).