2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile

C24H19N3O2S — CID 68885915

IUPAC2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
SMILESCc1sc(-c2ccccc2)nc1COc1ccc(COc2ncccc2C#N)cc1
InChIInChI=1S/C24H19N3O2S/c1-17-22(27-24(30-17)19-6-3-2-4-7-19)16-28-21-11-9-18(10-12-21)15-29-23-20(14-25)8-5-13-26-23/h2-13H,15-16H2,1H3
InChIKeyBZUCRFDUVUXIQY-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.54
Rot. Bonds7

About 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile

2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile (PubChem CID 68885915) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
PubChem CID68885915
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
SMILESCc1sc(-c2ccccc2)nc1COc1ccc(COc2ncccc2C#N)cc1
InChIInChI=1S/C24H19N3O2S/c1-17-22(27-24(30-17)19-6-3-2-4-7-19)16-28-21-11-9-18(10-12-21)15-29-23-20(14-25)8-5-13-26-23/h2-13H,15-16H2,1H3
InChIKeyBZUCRFDUVUXIQY-UHFFFAOYSA-N
XLogP5.54
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
6-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]pyridine-3-carbonitrile
CID 68884597
2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
CID 68884540
calcium;hydride;2-[2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid;dihydrate
CID 173119988
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
CID 173249504
4-[(4-methylphenoxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226795
4-[[4-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzonitrile
CID 126196057
[(1R)-1-cyano-4-[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 12052543
2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
CID 82573318
2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
CID 86604951

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile (CID 68885915) is 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile is Cc1sc(-c2ccccc2)nc1COc1ccc(COc2ncccc2C#N)cc1.
What is the InChIKey of 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
The InChIKey is BZUCRFDUVUXIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-17-22(27-24(30-17)19-6-3-2-4-7-19)16-28-21-11-9-18(10-12-21)15-29-23-20(14-25)8-5-13-26-23/h2-13H,15-16H2,1H3.
What are the key properties of 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile?
2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile has a molecular weight of 413.50 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 68885915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).