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

C19H16FN5S — CID 70975072

IUPAC2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
SMILESCN(c1nnc(-c2ccccc2C#N)s1)C1(c2ncccc2F)CCC1
InChIInChI=1S/C19H16FN5S/c1-25(19(9-5-10-19)16-15(20)8-4-11-22-16)18-24-23-17(26-18)14-7-3-2-6-13(14)12-21/h2-4,6-8,11H,5,9-10H2,1H3
InChIKeyOREPMUTWVQKZJQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.13
Rot. Bonds4

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

2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile (PubChem CID 70975072) has the molecular formula C19H16FN5S and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
PubChem CID70975072
Molecular FormulaC19H16FN5S
Molecular Weight365.44 g/mol
Exact Mass365.11
IUPAC Name2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
SMILESCN(c1nnc(-c2ccccc2C#N)s1)C1(c2ncccc2F)CCC1
InChIInChI=1S/C19H16FN5S/c1-25(19(9-5-10-19)16-15(20)8-4-11-22-16)18-24-23-17(26-18)14-7-3-2-6-13(14)12-21/h2-4,6-8,11H,5,9-10H2,1H3
InChIKeyOREPMUTWVQKZJQ-UHFFFAOYSA-N
XLogP4.13
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile?
The IUPAC name of 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile (CID 70975072) is 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile is CN(c1nnc(-c2ccccc2C#N)s1)C1(c2ncccc2F)CCC1.
What is the InChIKey of 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile?
The InChIKey is OREPMUTWVQKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5S/c1-25(19(9-5-10-19)16-15(20)8-4-11-22-16)18-24-23-17(26-18)14-7-3-2-6-13(14)12-21/h2-4,6-8,11H,5,9-10H2,1H3.
What are the key properties of 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile?
2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]-methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile is sourced from PubChem (CID 70975072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).