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

C10H7FN4S — CID 66423122

IUPAC3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile
SMILESCNc1nsnc1-c1cc(F)cc(C#N)c1
InChIInChI=1S/C10H7FN4S/c1-13-10-9(14-16-15-10)7-2-6(5-12)3-8(11)4-7/h2-4H,1H3,(H,13,15)
InChIKeyREUWXVFKBFKDIV-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.26
Rot. Bonds2

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

3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile (PubChem CID 66423122) has the molecular formula C10H7FN4S and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile
PubChem CID66423122
Molecular FormulaC10H7FN4S
Molecular Weight234.26 g/mol
Exact Mass234.04
IUPAC Name3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile
SMILESCNc1nsnc1-c1cc(F)cc(C#N)c1
InChIInChI=1S/C10H7FN4S/c1-13-10-9(14-16-15-10)7-2-6(5-12)3-8(11)4-7/h2-4H,1H3,(H,13,15)
InChIKeyREUWXVFKBFKDIV-UHFFFAOYSA-N
XLogP2.26
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile (CID 66423122) is 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile is CNc1nsnc1-c1cc(F)cc(C#N)c1.
What is the InChIKey of 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile?
The InChIKey is REUWXVFKBFKDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4S/c1-13-10-9(14-16-15-10)7-2-6(5-12)3-8(11)4-7/h2-4H,1H3,(H,13,15).
What are the key properties of 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile?
3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-(methylamino)-1,2,5-thiadiazol-3-yl]benzonitrile is sourced from PubChem (CID 66423122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).