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

C24H25N5O2S — CID 25233064

IUPAC3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c1
InChIInChI=1S/C24H25N5O2S/c1-31-19-6-4-5-17(13-19)23(30)26-21-8-3-2-7-20(21)22-15-29-18(16-32-24(29)27-22)14-28-11-9-25-10-12-28/h2-8,13,15-16,25H,9-12,14H2,1H3,(H,26,30)
InChIKeyFXNUSBGUIMZVRS-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.73
Rot. Bonds6

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

3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 25233064) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID25233064
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c1
InChIInChI=1S/C24H25N5O2S/c1-31-19-6-4-5-17(13-19)23(30)26-21-8-3-2-7-20(21)22-15-29-18(16-32-24(29)27-22)14-28-11-9-25-10-12-28/h2-8,13,15-16,25H,9-12,14H2,1H3,(H,26,30)
InChIKeyFXNUSBGUIMZVRS-UHFFFAOYSA-N
XLogP3.73
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide 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 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 25233064) is 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c1.
What is the InChIKey of 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is FXNUSBGUIMZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-31-19-6-4-5-17(13-19)23(30)26-21-8-3-2-7-20(21)22-15-29-18(16-32-24(29)27-22)14-28-11-9-25-10-12-28/h2-8,13,15-16,25H,9-12,14H2,1H3,(H,26,30).
What are the key properties of 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 25233064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).