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

C25H26N6O2S — CID 71216554

IUPACN-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
SMILESCN(C)CCOCC1=CSC2=NC(c3ccccc3NC(=O)c3cnc4ccccc4n3)CN12
InChIInChI=1S/C25H26N6O2S/c1-30(2)11-12-33-15-17-16-34-25-29-23(14-31(17)25)18-7-3-4-8-19(18)28-24(32)22-13-26-20-9-5-6-10-21(20)27-22/h3-10,13,16,23H,11-12,14-15H2,1-2H3,(H,28,32)
InChIKeyOGQZYMZYTDYAAD-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.76
Rot. Bonds8

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

N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide (PubChem CID 71216554) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
PubChem CID71216554
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
SMILESCN(C)CCOCC1=CSC2=NC(c3ccccc3NC(=O)c3cnc4ccccc4n3)CN12
InChIInChI=1S/C25H26N6O2S/c1-30(2)11-12-33-15-17-16-34-25-29-23(14-31(17)25)18-7-3-4-8-19(18)28-24(32)22-13-26-20-9-5-6-10-21(20)27-22/h3-10,13,16,23H,11-12,14-15H2,1-2H3,(H,28,32)
InChIKeyOGQZYMZYTDYAAD-UHFFFAOYSA-N
XLogP3.76
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide (CID 71216554) is N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide is CN(C)CCOCC1=CSC2=NC(c3ccccc3NC(=O)c3cnc4ccccc4n3)CN12.
What is the InChIKey of N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?
The InChIKey is OGQZYMZYTDYAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-30(2)11-12-33-15-17-16-34-25-29-23(14-31(17)25)18-7-3-4-8-19(18)28-24(32)22-13-26-20-9-5-6-10-21(20)27-22/h3-10,13,16,23H,11-12,14-15H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide?
N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 71216554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).