5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene

C20H15N3OS — CID 71815167

IUPAC5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
SMILESCOc1ccc(-c2n[nH]c3c2Cc2sc(-c4cccnc4)cc2-3)cc1
InChIInChI=1S/C20H15N3OS/c1-24-14-6-4-12(5-7-14)19-16-10-18-15(20(16)23-22-19)9-17(25-18)13-3-2-8-21-11-13/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyFFJSXPWNHROKBN-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.78
Rot. Bonds3

About 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene

5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene (PubChem CID 71815167) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
PubChem CID71815167
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
SMILESCOc1ccc(-c2n[nH]c3c2Cc2sc(-c4cccnc4)cc2-3)cc1
InChIInChI=1S/C20H15N3OS/c1-24-14-6-4-12(5-7-14)19-16-10-18-15(20(16)23-22-19)9-17(25-18)13-3-2-8-21-11-13/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyFFJSXPWNHROKBN-UHFFFAOYSA-N
XLogP4.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 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 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
The IUPAC name of 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene (CID 71815167) is 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene.
What is the SMILES notation for 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
The canonical SMILES for 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene is COc1ccc(-c2n[nH]c3c2Cc2sc(-c4cccnc4)cc2-3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
The InChIKey is FFJSXPWNHROKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-24-14-6-4-12(5-7-14)19-16-10-18-15(20(16)23-22-19)9-17(25-18)13-3-2-8-21-11-13/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene has a molecular weight of 345.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-10-pyridin-3-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene is sourced from PubChem (CID 71815167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).