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

C25H27N5O3S — CID 25233063

IUPAC3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1OC
InChIInChI=1S/C25H27N5O3S/c1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-15-30-18(16-34-25(30)28-21)14-29-11-9-26-10-12-29/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31)
InChIKeyDMBSOOPIVLNEIK-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.74
Rot. Bonds7

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

3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 25233063) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID25233063
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1OC
InChIInChI=1S/C25H27N5O3S/c1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-15-30-18(16-34-25(30)28-21)14-29-11-9-26-10-12-29/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31)
InChIKeyDMBSOOPIVLNEIK-UHFFFAOYSA-N
XLogP3.74
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 25233063) is 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is DMBSOOPIVLNEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-15-30-18(16-34-25(30)28-21)14-29-11-9-26-10-12-29/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31).
What are the key properties of 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 477.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 25233063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).