3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C24H24FN5O2S — CID 25232164

IUPAC3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1cc(F)cc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c1
InChIInChI=1S/C24H24FN5O2S/c1-32-19-11-16(10-17(25)12-19)23(31)27-21-5-3-2-4-20(21)22-14-30-18(15-33-24(30)28-22)13-29-8-6-26-7-9-29/h2-5,10-12,14-15,26H,6-9,13H2,1H3,(H,27,31)
InChIKeyZTETUWQCRZAEMX-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.87
Rot. Bonds6

About 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 25232164) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID25232164
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1cc(F)cc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c1
InChIInChI=1S/C24H24FN5O2S/c1-32-19-11-16(10-17(25)12-19)23(31)27-21-5-3-2-4-20(21)22-14-30-18(15-33-24(30)28-22)13-29-8-6-26-7-9-29/h2-5,10-12,14-15,26H,6-9,13H2,1H3,(H,27,31)
InChIKeyZTETUWQCRZAEMX-UHFFFAOYSA-N
XLogP3.87
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 25232164) is 3-fluoro-5-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-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is COc1cc(F)cc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c1.
What is the InChIKey of 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is ZTETUWQCRZAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-32-19-11-16(10-17(25)12-19)23(31)27-21-5-3-2-4-20(21)22-14-30-18(15-33-24(30)28-22)13-29-8-6-26-7-9-29/h2-5,10-12,14-15,26H,6-9,13H2,1H3,(H,27,31).
What are the key properties of 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 25232164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).