N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C14H13N3OS — CID 53003720

IUPACN-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCSc2ncccc21
InChIInChI=1S/C14H13N3OS/c18-14(16-11-5-2-1-3-6-11)17-9-10-19-13-12(17)7-4-8-15-13/h1-8H,9-10H2,(H,16,18)
InChIKeyBAYLCFRDIALHOE-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.23
Rot. Bonds1

About N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53003720) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53003720
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCSc2ncccc21
InChIInChI=1S/C14H13N3OS/c18-14(16-11-5-2-1-3-6-11)17-9-10-19-13-12(17)7-4-8-15-13/h1-8H,9-10H2,(H,16,18)
InChIKeyBAYLCFRDIALHOE-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53003720) is N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is O=C(Nc1ccccc1)N1CCSc2ncccc21.
What is the InChIKey of N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is BAYLCFRDIALHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-14(16-11-5-2-1-3-6-11)17-9-10-19-13-12(17)7-4-8-15-13/h1-8H,9-10H2,(H,16,18).
What are the key properties of N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53003720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).