2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one

C14H15N3OS — CID 23287602

IUPAC2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(NC2CC3CCC2C3)sc2ncccc12
InChIInChI=1S/C14H15N3OS/c18-12-10-2-1-5-15-13(10)19-14(17-12)16-11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11H,3-4,6-7H2,(H,16,17,18)
InChIKeyPJDDZQGFBYZNNV-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.65
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one

2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one (PubChem CID 23287602) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one
PubChem CID23287602
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one
SMILESO=c1nc(NC2CC3CCC2C3)sc2ncccc12
InChIInChI=1S/C14H15N3OS/c18-12-10-2-1-5-15-13(10)19-14(17-12)16-11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11H,3-4,6-7H2,(H,16,17,18)
InChIKeyPJDDZQGFBYZNNV-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one (CID 23287602) is 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one is O=c1nc(NC2CC3CCC2C3)sc2ncccc12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one?
The InChIKey is PJDDZQGFBYZNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-12-10-2-1-5-15-13(10)19-14(17-12)16-11-7-8-3-4-9(11)6-8/h1-2,5,8-9,11H,3-4,6-7H2,(H,16,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one?
2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one has a molecular weight of 273.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylamino)pyrido[3,2-e][1,3]thiazin-4-one is sourced from PubChem (CID 23287602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).