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

C8H10F3N3OS2 — CID 78765262

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nnc(SC(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)
InChIKeyYBUAHXWPDBFTBJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.01
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78765262) has the molecular formula C8H10F3N3OS2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78765262
Molecular FormulaC8H10F3N3OS2
Molecular Weight285.32 g/mol
Exact Mass285.02
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1nnc(SC(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)
InChIKeyYBUAHXWPDBFTBJ-UHFFFAOYSA-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

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Related Compounds

N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2994294
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 2141536
N-(2-methylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 8300920
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 45853810
4,4,4-trifluoro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}butanamide
CID 46983612
N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47144884
N-propyl-2-[[5-(3,3,3-trifluoropropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 60348136
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983630
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 71983640
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78763701
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78765258
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78766483

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 78765262) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is Cc1nnc(SC(C)C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YBUAHXWPDBFTBJ-UHFFFAOYSA-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).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide?
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 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78765262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).