6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one

C7H5ClN2OS — CID 13056866

IUPAC6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CSc2nc(Cl)ccc2N1
InChIInChI=1S/C7H5ClN2OS/c8-5-2-1-4-7(10-5)12-3-6(11)9-4/h1-2H,3H2,(H,9,11)
InChIKeyQLBCPMOTNUGNJH-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.78
Rot. Bonds

About 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one

6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 13056866) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID13056866
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESO=C1CSc2nc(Cl)ccc2N1
InChIInChI=1S/C7H5ClN2OS/c8-5-2-1-4-7(10-5)12-3-6(11)9-4/h1-2H,3H2,(H,9,11)
InChIKeyQLBCPMOTNUGNJH-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one (CID 13056866) is 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one is O=C1CSc2nc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is QLBCPMOTNUGNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c8-5-2-1-4-7(10-5)12-3-6(11)9-4/h1-2H,3H2,(H,9,11).
What are the key properties of 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one?
6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 200.65 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 13056866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).