[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C17H17N5O3S — CID 68782345

IUPAC[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1
InChIInChI=1S/C17H17N5O3S/c18-17-19-15-3-1-2-14(22(15)20-17)12-4-6-13(7-5-12)16(23)21-8-10-26(24,25)11-9-21/h1-7H,8-11H2,(H2,18,20)
InChIKeyPQMZWSUOCYLUSB-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.85
Rot. Bonds2

About [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 68782345) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID68782345
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESNc1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1
InChIInChI=1S/C17H17N5O3S/c18-17-19-15-3-1-2-14(22(15)20-17)12-4-6-13(7-5-12)16(23)21-8-10-26(24,25)11-9-21/h1-7H,8-11H2,(H2,18,20)
InChIKeyPQMZWSUOCYLUSB-UHFFFAOYSA-N
XLogP0.85
TPSA110.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 68782345) is [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is Nc1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1.
What is the InChIKey of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is PQMZWSUOCYLUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-17-19-15-3-1-2-14(22(15)20-17)12-4-6-13(7-5-12)16(23)21-8-10-26(24,25)11-9-21/h1-7H,8-11H2,(H2,18,20).
What are the key properties of [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 371.42 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 68782345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).