N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H11F3N4OS2 — CID 2746635

IUPACN-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)s1)Nc1ccccc1
InChIInChI=1S/C16H11F3N4OS2/c17-16(18,19)10-6-7-12(20-8-10)14-22-23-15(26-14)25-9-13(24)21-11-4-2-1-3-5-11/h1-8H,9H2,(H,21,24)
InChIKeyMDCAQWYYVXKMRB-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.35
Rot. Bonds5

About N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2746635) has the molecular formula C16H11F3N4OS2 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID2746635
Molecular FormulaC16H11F3N4OS2
Molecular Weight396.42 g/mol
Exact Mass396.03
IUPAC NameN-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)s1)Nc1ccccc1
InChIInChI=1S/C16H11F3N4OS2/c17-16(18,19)10-6-7-12(20-8-10)14-22-23-15(26-14)25-9-13(24)21-11-4-2-1-3-5-11/h1-8H,9H2,(H,21,24)
InChIKeyMDCAQWYYVXKMRB-UHFFFAOYSA-N
XLogP4.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2746636
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole
CID 2746640
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27987112
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 3381995
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 35987370
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 20900482
4-methyl-N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 18561267
2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7520021
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7961955

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2746635) is N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)s1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MDCAQWYYVXKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS2/c17-16(18,19)10-6-7-12(20-8-10)14-22-23-15(26-14)25-9-13(24)21-11-4-2-1-3-5-11/h1-8H,9H2,(H,21,24).
What are the key properties of N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 396.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2746635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).