4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C24H22N6OS — CID 59680302

IUPAC4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1
InChIInChI=1S/C24H22N6OS/c25-13-17-5-7-18(8-6-17)23(31)27-21-4-2-1-3-20(21)22-15-30-19(16-32-24(30)28-22)14-29-11-9-26-10-12-29/h1-8,15-16,26H,9-12,14H2,(H,27,31)
InChIKeyNIAVPSZBAZCRKN-UHFFFAOYSA-N
MW442.55 g/mol
LogP3.59
Rot. Bonds5

About 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 59680302) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID59680302
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC Name4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1
InChIInChI=1S/C24H22N6OS/c25-13-17-5-7-18(8-6-17)23(31)27-21-4-2-1-3-20(21)22-15-30-19(16-32-24(30)28-22)14-29-11-9-26-10-12-29/h1-8,15-16,26H,9-12,14H2,(H,27,31)
InChIKeyNIAVPSZBAZCRKN-UHFFFAOYSA-N
XLogP3.59
TPSA85.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 59680302) is 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1.
What is the InChIKey of 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is NIAVPSZBAZCRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c25-13-17-5-7-18(8-6-17)23(31)27-21-4-2-1-3-20(21)22-15-30-19(16-32-24(30)28-22)14-29-11-9-26-10-12-29/h1-8,15-16,26H,9-12,14H2,(H,27,31).
What are the key properties of 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 442.55 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 59680302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).