4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide

C21H16N4OS — CID 66587342

IUPAC4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide
SMILESCc1cn2cc(-c3cccc(CNC(=O)c4ccc(C#N)cc4)c3)nc2s1
InChIInChI=1S/C21H16N4OS/c1-14-12-25-13-19(24-21(25)27-14)18-4-2-3-16(9-18)11-23-20(26)17-7-5-15(10-22)6-8-17/h2-9,12-13H,11H2,1H3,(H,23,26)
InChIKeyXLMQXYIXNBKFHW-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.17
Rot. Bonds4

About 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide

4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide (PubChem CID 66587342) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide
PubChem CID66587342
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide
SMILESCc1cn2cc(-c3cccc(CNC(=O)c4ccc(C#N)cc4)c3)nc2s1
InChIInChI=1S/C21H16N4OS/c1-14-12-25-13-19(24-21(25)27-14)18-4-2-3-16(9-18)11-23-20(26)17-7-5-15(10-22)6-8-17/h2-9,12-13H,11H2,1H3,(H,23,26)
InChIKeyXLMQXYIXNBKFHW-UHFFFAOYSA-N
XLogP4.17
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide (CID 66587342) is 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide is Cc1cn2cc(-c3cccc(CNC(=O)c4ccc(C#N)cc4)c3)nc2s1.
What is the InChIKey of 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
The InChIKey is XLMQXYIXNBKFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c1-14-12-25-13-19(24-21(25)27-14)18-4-2-3-16(9-18)11-23-20(26)17-7-5-15(10-22)6-8-17/h2-9,12-13H,11H2,1H3,(H,23,26).
What are the key properties of 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide?
4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide has a molecular weight of 372.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[3-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 66587342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).