[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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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).