N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide

C25H25N7OS — CID 70875029

IUPACN-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccccc1C1=CSC2=NC(CN3CCNCC3)CN12)c1cnc2ccccc2n1
InChIInChI=1S/C25H25N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)29-22)30-19-6-2-1-5-18(19)23-16-34-25-28-17(15-32(23)25)14-31-11-9-26-10-12-31/h1-8,13,16-17,26H,9-12,14-15H2,(H,30,33)
InChIKeyONQYJFFPMZVLCO-UHFFFAOYSA-N
MW471.59 g/mol
LogP2.87
Rot. Bonds5

About N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide

N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide (PubChem CID 70875029) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide
PubChem CID70875029
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC NameN-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccccc1C1=CSC2=NC(CN3CCNCC3)CN12)c1cnc2ccccc2n1
InChIInChI=1S/C25H25N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)29-22)30-19-6-2-1-5-18(19)23-16-34-25-28-17(15-32(23)25)14-31-11-9-26-10-12-31/h1-8,13,16-17,26H,9-12,14-15H2,(H,30,33)
InChIKeyONQYJFFPMZVLCO-UHFFFAOYSA-N
XLogP2.87
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide (CID 70875029) is N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide is O=C(Nc1ccccc1C1=CSC2=NC(CN3CCNCC3)CN12)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide?
The InChIKey is ONQYJFFPMZVLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)29-22)30-19-6-2-1-5-18(19)23-16-34-25-28-17(15-32(23)25)14-31-11-9-26-10-12-31/h1-8,13,16-17,26H,9-12,14-15H2,(H,30,33).
What are the key properties of N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide?
N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 70875029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).