2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

C11H8F3N3OS2 — CID 35987370

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)7-1-3-8(4-2-7)16-9(18)5-19-10-17-15-6-20-10/h1-4,6H,5H2,(H,16,18)
InChIKeyHLOGHLFAAMPMFN-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.29
Rot. Bonds4

About 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 35987370) has the molecular formula C11H8F3N3OS2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID35987370
Molecular FormulaC11H8F3N3OS2
Molecular Weight319.33 g/mol
Exact Mass319.01
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)7-1-3-8(4-2-7)16-9(18)5-19-10-17-15-6-20-10/h1-4,6H,5H2,(H,16,18)
InChIKeyHLOGHLFAAMPMFN-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
N-[4-(1-adamantylmethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 166814742
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27987112
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7520021
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
N-[4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55874116
N-(3-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7499720
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 22110936
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55852444

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 35987370) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nncs1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HLOGHLFAAMPMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS2/c12-11(13,14)7-1-3-8(4-2-7)16-9(18)5-19-10-17-15-6-20-10/h1-4,6H,5H2,(H,16,18).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 319.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 35987370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).