N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide

C12H11F3N4OS2 — CID 123960518

IUPACN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide
SMILESCC(CC(=O)Nc1nnc(-c2cccnc2)s1)SC(F)(F)F
InChIInChI=1S/C12H11F3N4OS2/c1-7(22-12(13,14)15)5-9(20)17-11-19-18-10(21-11)8-3-2-4-16-6-8/h2-4,6-7H,5H2,1H3,(H,17,19,20)
InChIKeyUUDJMEDQNSSQHN-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.57
Rot. Bonds5

About N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide

N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide (PubChem CID 123960518) has the molecular formula C12H11F3N4OS2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide
PubChem CID123960518
Molecular FormulaC12H11F3N4OS2
Molecular Weight348.38 g/mol
Exact Mass348.03
IUPAC NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide
SMILESCC(CC(=O)Nc1nnc(-c2cccnc2)s1)SC(F)(F)F
InChIInChI=1S/C12H11F3N4OS2/c1-7(22-12(13,14)15)5-9(20)17-11-19-18-10(21-11)8-3-2-4-16-6-8/h2-4,6-7H,5H2,1H3,(H,17,19,20)
InChIKeyUUDJMEDQNSSQHN-UHFFFAOYSA-N
XLogP3.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313
3,5,5-trimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)hexanamide
CID 134157729
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2359813
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-oxo-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 56970819
1-methyl-5-oxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 91821431
2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16916934
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121315848

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide?
The IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide (CID 123960518) is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide.
What is the SMILES notation for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide?
The canonical SMILES for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide is CC(CC(=O)Nc1nnc(-c2cccnc2)s1)SC(F)(F)F.
What is the InChIKey of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide?
The InChIKey is UUDJMEDQNSSQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS2/c1-7(22-12(13,14)15)5-9(20)17-11-19-18-10(21-11)8-3-2-4-16-6-8/h2-4,6-7H,5H2,1H3,(H,17,19,20).
What are the key properties of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide?
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide has a molecular weight of 348.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfanyl)butanamide is sourced from PubChem (CID 123960518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).