12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene

C20H16N2OS — CID 10065351

IUPAC12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
SMILESCOc1ccc(-c2csc3nc4c(n23)CCc2ccccc2-4)cc1
InChIInChI=1S/C20H16N2OS/c1-23-15-9-6-14(7-10-15)18-12-24-20-21-19-16-5-3-2-4-13(16)8-11-17(19)22(18)20/h2-7,9-10,12H,8,11H2,1H3
InChIKeyDLNIFEXSNXZFRA-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.84
Rot. Bonds2

About 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene

12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene (PubChem CID 10065351) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene.

Molecular Properties

Compound Name12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
PubChem CID10065351
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
SMILESCOc1ccc(-c2csc3nc4c(n23)CCc2ccccc2-4)cc1
InChIInChI=1S/C20H16N2OS/c1-23-15-9-6-14(7-10-15)18-12-24-20-21-19-16-5-3-2-4-13(16)8-11-17(19)22(18)20/h2-7,9-10,12H,8,11H2,1H3
InChIKeyDLNIFEXSNXZFRA-UHFFFAOYSA-N
XLogP4.84
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene with MolForge

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Related Compounds

6-(furan-2-yl)-3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216185
3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 10935707
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide
CID 21177480
6-(4-methoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225125
4-methoxy-13-methyl-14-thia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),3,5,12,15-hexaene
CID 107646500
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate
CID 71813757
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
2-(4-methoxy-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaen-11-yl)acetic acid
CID 79371620
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466

Frequently Asked Questions

What is the IUPAC name of 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
The IUPAC name of 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene (CID 10065351) is 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene.
What is the SMILES notation for 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
The canonical SMILES for 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene is COc1ccc(-c2csc3nc4c(n23)CCc2ccccc2-4)cc1.
What is the InChIKey of 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
The InChIKey is DLNIFEXSNXZFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-23-15-9-6-14(7-10-15)18-12-24-20-21-19-16-5-3-2-4-13(16)8-11-17(19)22(18)20/h2-7,9-10,12H,8,11H2,1H3.
What are the key properties of 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene has a molecular weight of 332.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene is sourced from PubChem (CID 10065351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).