6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine

C21H18N2OS — CID 14210953

IUPAC6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine
SMILESCCOc1ccc2c(n1)SC(c1ccccc1)=C(c1ccccc1)N2
InChIInChI=1S/C21H18N2OS/c1-2-24-18-14-13-17-21(23-18)25-20(16-11-7-4-8-12-16)19(22-17)15-9-5-3-6-10-15/h3-14,22H,2H2,1H3
InChIKeyKTWNENZDJPZXMH-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.52
Rot. Bonds4

About 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine

6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine (PubChem CID 14210953) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine
PubChem CID14210953
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine
SMILESCCOc1ccc2c(n1)SC(c1ccccc1)=C(c1ccccc1)N2
InChIInChI=1S/C21H18N2OS/c1-2-24-18-14-13-17-21(23-18)25-20(16-11-7-4-8-12-16)19(22-17)15-9-5-3-6-10-15/h3-14,22H,2H2,1H3
InChIKeyKTWNENZDJPZXMH-UHFFFAOYSA-N
XLogP5.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine?
The IUPAC name of 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine (CID 14210953) is 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine.
What is the SMILES notation for 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine?
The canonical SMILES for 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine is CCOc1ccc2c(n1)SC(c1ccccc1)=C(c1ccccc1)N2.
What is the InChIKey of 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine?
The InChIKey is KTWNENZDJPZXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-2-24-18-14-13-17-21(23-18)25-20(16-11-7-4-8-12-16)19(22-17)15-9-5-3-6-10-15/h3-14,22H,2H2,1H3.
What are the key properties of 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine?
6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine has a molecular weight of 346.46 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,3-diphenyl-1H-pyrido[2,3-b][1,4]thiazine is sourced from PubChem (CID 14210953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).