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

C26H24N6OS — CID 56593450

IUPACN-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3c(CN4CCNCC4)csc3n2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C26H24N6OS/c33-25(23-9-8-18-4-1-2-7-22(18)29-23)28-20-6-3-5-19(14-20)24-16-32-21(17-34-26(32)30-24)15-31-12-10-27-11-13-31/h1-9,14,16-17,27H,10-13,15H2,(H,28,33)
InChIKeyVCEHKMAGNGYJNG-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.27
Rot. Bonds5

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

N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide (PubChem CID 56593450) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
PubChem CID56593450
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC NameN-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3c(CN4CCNCC4)csc3n2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C26H24N6OS/c33-25(23-9-8-18-4-1-2-7-22(18)29-23)28-20-6-3-5-19(14-20)24-16-32-21(17-34-26(32)30-24)15-31-12-10-27-11-13-31/h1-9,14,16-17,27H,10-13,15H2,(H,28,33)
InChIKeyVCEHKMAGNGYJNG-UHFFFAOYSA-N
XLogP4.27
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide (CID 56593450) is N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide is O=C(Nc1cccc(-c2cn3c(CN4CCNCC4)csc3n2)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
The InChIKey is VCEHKMAGNGYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c33-25(23-9-8-18-4-1-2-7-22(18)29-23)28-20-6-3-5-19(14-20)24-16-32-21(17-34-26(32)30-24)15-31-12-10-27-11-13-31/h1-9,14,16-17,27H,10-13,15H2,(H,28,33).
What are the key properties of N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide has a molecular weight of 468.59 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 56593450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).