8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C23H20N6O2S2 — CID 25095223

IUPAC8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCN(C)C(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12
InChIInChI=1S/C23H20N6O2S2/c1-28(2)22(31)19-18(14-7-9-32-12-14)27-20-15(4-3-8-29(19)20)21(30)25-11-13-5-6-16-17(10-13)33-23(24)26-16/h3-10,12H,11H2,1-2H3,(H2,24,26)(H,25,30)
InChIKeyZIUXANONAFGITF-UHFFFAOYSA-N
MW476.59 g/mol
LogP3.89
Rot. Bonds5

About 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 25095223) has the molecular formula C23H20N6O2S2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID25095223
Molecular FormulaC23H20N6O2S2
Molecular Weight476.59 g/mol
Exact Mass476.11
IUPAC Name8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCN(C)C(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12
InChIInChI=1S/C23H20N6O2S2/c1-28(2)22(31)19-18(14-7-9-32-12-14)27-20-15(4-3-8-29(19)20)21(30)25-11-13-5-6-16-17(10-13)33-23(24)26-16/h3-10,12H,11H2,1-2H3,(H2,24,26)(H,25,30)
InChIKeyZIUXANONAFGITF-UHFFFAOYSA-N
XLogP3.89
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 25095223) is 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CN(C)C(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.
What is the InChIKey of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is ZIUXANONAFGITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S2/c1-28(2)22(31)19-18(14-7-9-32-12-14)27-20-15(4-3-8-29(19)20)21(30)25-11-13-5-6-16-17(10-13)33-23(24)26-16/h3-10,12H,11H2,1-2H3,(H2,24,26)(H,25,30).
What are the key properties of 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 476.59 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N,3-N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 25095223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).