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

C25H23N5O2S — CID 25232347

IUPACN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1
InChIInChI=1S/C25H23N5O2S/c31-24(23-13-17-5-1-4-8-22(17)32-23)27-20-7-3-2-6-19(20)21-15-30-18(16-33-25(30)28-21)14-29-11-9-26-10-12-29/h1-8,13,15-16,26H,9-12,14H2,(H,27,31)
InChIKeyYWXBDOBCMGWUJK-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.47
Rot. Bonds5

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

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 25232347) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID25232347
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1
InChIInChI=1S/C25H23N5O2S/c31-24(23-13-17-5-1-4-8-22(17)32-23)27-20-7-3-2-6-19(20)21-15-30-18(16-33-25(30)28-21)14-29-11-9-26-10-12-29/h1-8,13,15-16,26H,9-12,14H2,(H,27,31)
InChIKeyYWXBDOBCMGWUJK-UHFFFAOYSA-N
XLogP4.47
TPSA74.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide (CID 25232347) is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is YWXBDOBCMGWUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c31-24(23-13-17-5-1-4-8-22(17)32-23)27-20-7-3-2-6-19(20)21-15-30-18(16-33-25(30)28-21)14-29-11-9-26-10-12-29/h1-8,13,15-16,26H,9-12,14H2,(H,27,31).
What are the key properties of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide?
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25232347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).