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

C26H24N6OS — CID 25233239

IUPACN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1
InChIInChI=1S/C26H24N6OS/c33-25(19-13-18-5-1-3-7-22(18)28-14-19)29-23-8-4-2-6-21(23)24-16-32-20(17-34-26(32)30-24)15-31-11-9-27-10-12-31/h1-8,13-14,16-17,27H,9-12,15H2,(H,29,33)
InChIKeyHUPWJKZBMGOXCR-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.27
Rot. Bonds5

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

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide (PubChem CID 25233239) has the molecular formula C26H24N6OS and a molecular weight of 468.59 g/mol. Its IUPAC name is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide
PubChem CID25233239
Molecular FormulaC26H24N6OS
Molecular Weight468.59 g/mol
Exact Mass468.17
IUPAC NameN-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1
InChIInChI=1S/C26H24N6OS/c33-25(19-13-18-5-1-3-7-22(18)28-14-19)29-23-8-4-2-6-21(23)24-16-32-20(17-34-26(32)30-24)15-31-11-9-27-10-12-31/h1-8,13-14,16-17,27H,9-12,15H2,(H,29,33)
InChIKeyHUPWJKZBMGOXCR-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-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide (CID 25233239) is N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide is O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1.
What is the InChIKey of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide?
The InChIKey is HUPWJKZBMGOXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6OS/c33-25(19-13-18-5-1-3-7-22(18)28-14-19)29-23-8-4-2-6-21(23)24-16-32-20(17-34-26(32)30-24)15-31-11-9-27-10-12-31/h1-8,13-14,16-17,27H,9-12,15H2,(H,29,33).
What are the key properties of N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide?
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-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-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 25233239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).