2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile

C11H8FN3S2 — CID 103886676

IUPAC2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile
SMILESCc1nnc(SCc2cccc(C#N)c2F)s1
InChIInChI=1S/C11H8FN3S2/c1-7-14-15-11(17-7)16-6-9-4-2-3-8(5-13)10(9)12/h2-4H,6H2,1H3
InChIKeyQFWKKDFRRDRSNX-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.15
Rot. Bonds3

About 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile

2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile (PubChem CID 103886676) has the molecular formula C11H8FN3S2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile
PubChem CID103886676
Molecular FormulaC11H8FN3S2
Molecular Weight265.34 g/mol
Exact Mass265.01
IUPAC Name2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile
SMILESCc1nnc(SCc2cccc(C#N)c2F)s1
InChIInChI=1S/C11H8FN3S2/c1-7-14-15-11(17-7)16-6-9-4-2-3-8(5-13)10(9)12/h2-4H,6H2,1H3
InChIKeyQFWKKDFRRDRSNX-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107118334
2-fluoro-3-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 113350332
2-fluoro-3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzonitrile
CID 107118316
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
3-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 103912232
3-[[4-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107119986
4-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 103760277
ethyl 5-[(3-cyano-2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
CID 107114005
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 9070503
3-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107118270
3-[(2-amino-5-fluorophenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107118300
[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289523

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile (CID 103886676) is 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile is Cc1nnc(SCc2cccc(C#N)c2F)s1.
What is the InChIKey of 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile?
The InChIKey is QFWKKDFRRDRSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S2/c1-7-14-15-11(17-7)16-6-9-4-2-3-8(5-13)10(9)12/h2-4H,6H2,1H3.
What are the key properties of 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile?
2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile has a molecular weight of 265.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 103886676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).