[6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

C19H17N5O2S — CID 88979788

IUPAC[6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc2cccc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c2s1
InChIInChI=1S/C19H17N5O2S/c20-19-22-14-3-1-2-13(17(14)27-19)12-4-5-16-21-10-15(24(16)11-12)18(25)23-6-8-26-9-7-23/h1-5,10-11H,6-9H2,(H2,20,22)
InChIKeyBEGKJCFQVXXQJE-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.67
Rot. Bonds2

About [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

[6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 88979788) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID88979788
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name[6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESNc1nc2cccc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c2s1
InChIInChI=1S/C19H17N5O2S/c20-19-22-14-3-1-2-13(17(14)27-19)12-4-5-16-21-10-15(24(16)11-12)18(25)23-6-8-26-9-7-23/h1-5,10-11H,6-9H2,(H2,20,22)
InChIKeyBEGKJCFQVXXQJE-UHFFFAOYSA-N
XLogP2.67
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
6-pyridin-2-yl-N-thiophen-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 155551480
US9670204, 32 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-1-morpholinoethanone
CID 90421066
7-cyano-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 84973070
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide
CID 1017396
2-[8-(4-Morpholin-4-yl-phenylamino)-imidazo[1,2-a]pyrazin-5-yl]-thiazole-5-carboxylic acid amide
CID 57400977
N-(1,3-benzothiazol-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 74767425
2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide
CID 84973084
2-[(2R)-2-[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 88561479
US9670204, 64 ethyl2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)-3-oxopiperazin-1-yl)acetate
CID 90446843
US20230295159, Example 8
CID 162434395
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052844

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone (CID 88979788) is [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is Nc1nc2cccc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)c2s1.
What is the InChIKey of [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BEGKJCFQVXXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-19-22-14-3-1-2-13(17(14)27-19)12-4-5-16-21-10-15(24(16)11-12)18(25)23-6-8-26-9-7-23/h1-5,10-11H,6-9H2,(H2,20,22).
What are the key properties of [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone?
[6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 379.45 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzothiazol-7-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 88979788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).