5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole

C9H6F2N2S2 — CID 133426349

IUPAC5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C9H6F2N2S2/c1-5-12-9(15-13-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3
InChIKeyJFXPSMSDRVLMLN-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.28
Rot. Bonds2

About 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole

5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole (PubChem CID 133426349) has the molecular formula C9H6F2N2S2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
PubChem CID133426349
Molecular FormulaC9H6F2N2S2
Molecular Weight244.29 g/mol
Exact Mass243.99
IUPAC Name5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C9H6F2N2S2/c1-5-12-9(15-13-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3
InChIKeyJFXPSMSDRVLMLN-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 116736865
4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine
CID 55080102
1-[5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]propan-2-amine
CID 114866477
4-bromo-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzonitrile
CID 114905045
5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133424667
3-bromo-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzoic acid
CID 82802855
[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine
CID 102818800
[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 107880566
2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine
CID 116798209
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133426572
2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene
CID 22351785
[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
CID 81052393

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole (CID 133426349) is 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole is Cc1nsc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
The InChIKey is JFXPSMSDRVLMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2S2/c1-5-12-9(15-13-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3.
What are the key properties of 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole has a molecular weight of 244.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133426349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).