9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

C21H18N2O2S — CID 66748913

IUPAC9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCN2C=CC=C(c3ccc(C=Cc4ccccc4)cc3)C2=N1
InChIInChI=1S/C21H18N2O2S/c24-26(25)16-15-23-14-4-7-20(21(23)22-26)19-12-10-18(11-13-19)9-8-17-5-2-1-3-6-17/h1-14H,15-16H2
InChIKeyFPKQCZVRDLYOLQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.81
Rot. Bonds3

About 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide (PubChem CID 66748913) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide.

Molecular Properties

Compound Name9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
PubChem CID66748913
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
SMILESO=S1(=O)CCN2C=CC=C(c3ccc(C=Cc4ccccc4)cc3)C2=N1
InChIInChI=1S/C21H18N2O2S/c24-26(25)16-15-23-14-4-7-20(21(23)22-26)19-12-10-18(11-13-19)9-8-17-5-2-1-3-6-17/h1-14H,15-16H2
InChIKeyFPKQCZVRDLYOLQ-UHFFFAOYSA-N
XLogP3.81
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The IUPAC name of 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide (CID 66748913) is 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide.
What is the SMILES notation for 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The canonical SMILES for 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide is O=S1(=O)CCN2C=CC=C(c3ccc(C=Cc4ccccc4)cc3)C2=N1.
What is the InChIKey of 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
The InChIKey is FPKQCZVRDLYOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-26(25)16-15-23-14-4-7-20(21(23)22-26)19-12-10-18(11-13-19)9-8-17-5-2-1-3-6-17/h1-14H,15-16H2.
What are the key properties of 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide?
9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide has a molecular weight of 362.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-phenylethenyl)phenyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide is sourced from PubChem (CID 66748913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).