2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

C23H14FN5S — CID 10158537

IUPAC2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESCc1ncc(-c2ccn3c(-c4ccc(F)c(-c5ccccc5C#N)c4)cnc3n2)s1
InChIInChI=1S/C23H14FN5S/c1-14-26-13-22(30-14)20-8-9-29-21(12-27-23(29)28-20)15-6-7-19(24)18(10-15)17-5-3-2-4-16(17)11-25/h2-10,12-13H,1H3
InChIKeyUIWWQQLOFPUQPA-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.51
Rot. Bonds3

About 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (PubChem CID 10158537) has the molecular formula C23H14FN5S and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
PubChem CID10158537
Molecular FormulaC23H14FN5S
Molecular Weight411.47 g/mol
Exact Mass411.10
IUPAC Name2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESCc1ncc(-c2ccn3c(-c4ccc(F)c(-c5ccccc5C#N)c4)cnc3n2)s1
InChIInChI=1S/C23H14FN5S/c1-14-26-13-22(30-14)20-8-9-29-21(12-27-23(29)28-20)15-6-7-19(24)18(10-15)17-5-3-2-4-16(17)11-25/h2-10,12-13H,1H3
InChIKeyUIWWQQLOFPUQPA-UHFFFAOYSA-N
XLogP5.51
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (CID 10158537) is 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is Cc1ncc(-c2ccn3c(-c4ccc(F)c(-c5ccccc5C#N)c4)cnc3n2)s1.
What is the InChIKey of 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The InChIKey is UIWWQQLOFPUQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5S/c1-14-26-13-22(30-14)20-8-9-29-21(12-27-23(29)28-20)15-6-7-19(24)18(10-15)17-5-3-2-4-16(17)11-25/h2-10,12-13H,1H3.
What are the key properties of 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile has a molecular weight of 411.47 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[7-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 10158537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).