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

C16H13F3N4OS2 — CID 2746661

IUPAC2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC1=NNC(c2ccccn2)S1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4OS2/c17-16(18,19)10-4-6-11(7-5-10)21-13(24)9-25-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8,14,22H,9H2,(H,21,24)
InChIKeyDHPJRZFBJOWYTH-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.08
Rot. Bonds4

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

2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2746661) has the molecular formula C16H13F3N4OS2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID2746661
Molecular FormulaC16H13F3N4OS2
Molecular Weight398.44 g/mol
Exact Mass398.05
IUPAC Name2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC1=NNC(c2ccccn2)S1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4OS2/c17-16(18,19)10-4-6-11(7-5-10)21-13(24)9-25-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8,14,22H,9H2,(H,21,24)
InChIKeyDHPJRZFBJOWYTH-UHFFFAOYSA-N
XLogP4.08
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
CID 2746653
2-(2-Pyridyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 2732594
N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2746659
5-[[6-(Trifluoromethyl)-3-pyridinyl]methylsulfanyl]-1,4-dihydropyrazine-2,3-dione
CID 166951754
N-(4-methylphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258949
N-Phenyl-2-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 3163619
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 4884154
N-(3-fluoro-4-methylphenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032818
N-benzyl-2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 122190379
N-phenyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190466
N-(4-methylphenyl)-3-[(2-pyridin-2-ylethyl)thio]propanamide
CID 4600207
2-(benzylsulfanyl)-N-(pyridin-2-ylmethyl)propanamide
CID 3153435

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 2746661) is 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSC1=NNC(c2ccccn2)S1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DHPJRZFBJOWYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS2/c17-16(18,19)10-4-6-11(7-5-10)21-13(24)9-25-15-23-22-14(26-15)12-3-1-2-8-20-12/h1-8,14,22H,9H2,(H,21,24).
What are the key properties of 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2746661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).