2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C9H5F3N2OS2 — CID 141336300

IUPAC2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESO=S(c1ccccc1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H5F3N2OS2/c10-9(11,12)7-13-14-8(16-7)17(15)6-4-2-1-3-5-6/h1-5H
InChIKeyYEQFWUXVLNLGBV-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.72
Rot. Bonds2

About 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 141336300) has the molecular formula C9H5F3N2OS2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID141336300
Molecular FormulaC9H5F3N2OS2
Molecular Weight278.28 g/mol
Exact Mass277.98
IUPAC Name2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESO=S(c1ccccc1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H5F3N2OS2/c10-9(11,12)7-13-14-8(16-7)17(15)6-4-2-1-3-5-6/h1-5H
InChIKeyYEQFWUXVLNLGBV-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole 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

2-(3-Chlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20322873
2-(4-Methylphenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 22084327
2-[(2-Fluorophenyl)disulfanyl]-5-methyl-1,3,4-thiadiazole
CID 71681381
2-[(2,5-Difluorophenyl)sulfanylmethyl]-5-methylsulfonyl-1,3,4-thiadiazole
CID 100675872
2-[4-(Difluoromethylsulfonyl)phenyl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 133424770
2-Methyl-5-phenylsulfanyl-1,3,4-thiadiazole
CID 101799786
2-[3-(Benzenesulfonyl)prop-2-enylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 3633311
2-[(E)-3-(benzenesulfonyl)prop-2-enyl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 5880943
2-[2-(Benzenesulfonyl)ethylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 41957878
5-Phenylsulfanyl-1,3,4-thiadiazole-2-carbonitrile
CID 101081953
2-[3-(Benzenesulfonyl)propylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 122159885
2-(Benzenesulfinylmethyl)-5-ethyl-1,3,4-thiadiazole
CID 167823191

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 141336300) is 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole is O=S(c1ccccc1)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is YEQFWUXVLNLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2OS2/c10-9(11,12)7-13-14-8(16-7)17(15)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 278.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 141336300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).