10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

C20H16N2S — CID 10829218

IUPAC10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESc1ccc(-c2nc3sc4c(n3c2-c2ccccc2)CCC4)cc1
InChIInChI=1S/C20H16N2S/c1-3-8-14(9-4-1)18-19(15-10-5-2-6-11-15)22-16-12-7-13-17(16)23-20(22)21-18/h1-6,8-11H,7,12-13H2
InChIKeyHHRBOHBBBJLHGL-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.22
Rot. Bonds2

About 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene

10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (PubChem CID 10829218) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.

Molecular Properties

Compound Name10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
PubChem CID10829218
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
SMILESc1ccc(-c2nc3sc4c(n3c2-c2ccccc2)CCC4)cc1
InChIInChI=1S/C20H16N2S/c1-3-8-14(9-4-1)18-19(15-10-5-2-6-11-15)22-16-12-7-13-17(16)23-20(22)21-18/h1-6,8-11H,7,12-13H2
InChIKeyHHRBOHBBBJLHGL-UHFFFAOYSA-N
XLogP5.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
CID 5179041
2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211188
2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83092009
2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine
CID 82062759
[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197108
2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211194
10-(4-ethoxyphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-amine
CID 82068875
1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboximidoyl)piperidine-3-carboxamide
CID 173309775
2-ethyl-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 10805524
N-[(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
CID 67624379
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211196

Frequently Asked Questions

What is the IUPAC name of 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The IUPAC name of 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene (CID 10829218) is 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene.
What is the SMILES notation for 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The canonical SMILES for 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is c1ccc(-c2nc3sc4c(n3c2-c2ccccc2)CCC4)cc1.
What is the InChIKey of 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
The InChIKey is HHRBOHBBBJLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-3-8-14(9-4-1)18-19(15-10-5-2-6-11-15)22-16-12-7-13-17(16)23-20(22)21-18/h1-6,8-11H,7,12-13H2.
What are the key properties of 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene?
10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene has a molecular weight of 316.43 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene is sourced from PubChem (CID 10829218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).