[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C19H17N5O4S — CID 70798411

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCS(=O)(=O)CC5)n4c3)ccc2o1
InChIInChI=1S/C19H17N5O4S/c20-19-22-14-9-12(1-3-16(14)28-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-29(26,27)8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
InChIKeyQUAPETJJFHRDRT-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.60
Rot. Bonds2

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 70798411) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID70798411
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCS(=O)(=O)CC5)n4c3)ccc2o1
InChIInChI=1S/C19H17N5O4S/c20-19-22-14-9-12(1-3-16(14)28-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-29(26,27)8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
InChIKeyQUAPETJJFHRDRT-UHFFFAOYSA-N
XLogP1.60
TPSA123.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 70798411) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCS(=O)(=O)CC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is QUAPETJJFHRDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c20-19-22-14-9-12(1-3-16(14)28-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-29(26,27)8-6-23/h1-4,9-11H,5-8H2,(H2,20,22).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 411.44 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 70798411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).