2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile

C24H13FN4S — CID 10136133

IUPAC2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccnc3nc(-c4nccs4)ccc23)ccc1F
InChIInChI=1S/C24H13FN4S/c25-21-7-5-15(13-20(21)17-4-2-1-3-16(17)14-26)18-9-10-27-23-19(18)6-8-22(29-23)24-28-11-12-30-24/h1-13H
InChIKeyHREJJTWBKCTVIO-UHFFFAOYSA-N
MW408.46 g/mol
LogP6.10
Rot. Bonds3

About 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile

2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile (PubChem CID 10136133) has the molecular formula C24H13FN4S and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile
PubChem CID10136133
Molecular FormulaC24H13FN4S
Molecular Weight408.46 g/mol
Exact Mass408.08
IUPAC Name2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccnc3nc(-c4nccs4)ccc23)ccc1F
InChIInChI=1S/C24H13FN4S/c25-21-7-5-15(13-20(21)17-4-2-1-3-16(17)14-26)18-9-10-27-23-19(18)6-8-22(29-23)24-28-11-12-30-24/h1-13H
InChIKeyHREJJTWBKCTVIO-UHFFFAOYSA-N
XLogP6.10
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
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CID 158056078
2-[5-(3-hydroxy-2-pyridinyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile;2-[2-oxo-1-phenyl-5-(1,3-thiazol-2-yl)-3-pyridinyl]benzonitrile
CID 158615732
2-pyrido[2,3-b]pyrazin-8-ylbenzonitrile
CID 142880710
2-fluoro-6-(1,3-thiazol-2-yl)benzonitrile
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5-fluorotricyclo[5.2.2.12,6]dodeca-1(9),2(12),3,5,7,10-hexaene-8-carbonitrile
CID 57247188
5-(4-fluoro-3-pyrimidin-5-ylphenyl)-2-(trifluoromethyl)-1,8-naphthyridine
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2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile
CID 10292218
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2-amino-4-(2-fluorophenyl)benzonitrile
CID 46314173
2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole
CID 154406495
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176646140

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile (CID 10136133) is 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccnc3nc(-c4nccs4)ccc23)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile?
The InChIKey is HREJJTWBKCTVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13FN4S/c25-21-7-5-15(13-20(21)17-4-2-1-3-16(17)14-26)18-9-10-27-23-19(18)6-8-22(29-23)24-28-11-12-30-24/h1-13H.
What are the key properties of 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile?
2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile has a molecular weight of 408.46 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile is sourced from PubChem (CID 10136133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).