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

C24H24FN5O2S — CID 25232165

IUPAC3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1F
InChIInChI=1S/C24H24FN5O2S/c1-32-22-7-6-16(12-19(22)25)23(31)27-20-5-3-2-4-18(20)21-14-30-17(15-33-24(30)28-21)13-29-10-8-26-9-11-29/h2-7,12,14-15,26H,8-11,13H2,1H3,(H,27,31)
InChIKeyYUVFMUVOVKMQQV-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.87
Rot. Bonds6

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

3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 25232165) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID25232165
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)cc1F
InChIInChI=1S/C24H24FN5O2S/c1-32-22-7-6-16(12-19(22)25)23(31)27-20-5-3-2-4-18(20)21-14-30-17(15-33-24(30)28-21)13-29-10-8-26-9-11-29/h2-7,12,14-15,26H,8-11,13H2,1H3,(H,27,31)
InChIKeyYUVFMUVOVKMQQV-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-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 25232165) is 3-fluoro-4-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-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-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)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is YUVFMUVOVKMQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-32-22-7-6-16(12-19(22)25)23(31)27-20-5-3-2-4-18(20)21-14-30-17(15-33-24(30)28-21)13-29-10-8-26-9-11-29/h2-7,12,14-15,26H,8-11,13H2,1H3,(H,27,31).
What are the key properties of 3-fluoro-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3-fluoro-4-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-4-methoxy-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 25232165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).