10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene

C18H12N2OS — CID 102193064

IUPAC10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene
SMILESCOc1ccc2c(c1)c1c3ccccc3sc1c1ccnn21
InChIInChI=1S/C18H12N2OS/c1-21-11-6-7-14-13(10-11)17-12-4-2-3-5-16(12)22-18(17)15-8-9-19-20(14)15/h2-10H,1H3
InChIKeySAYCVMOUOAMAPO-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.86
Rot. Bonds1

About 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene

10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene (PubChem CID 102193064) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene.

Molecular Properties

Compound Name10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene
PubChem CID102193064
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene
SMILESCOc1ccc2c(c1)c1c3ccccc3sc1c1ccnn21
InChIInChI=1S/C18H12N2OS/c1-21-11-6-7-14-13(10-11)17-12-4-2-3-5-16(12)22-18(17)15-8-9-19-20(14)15/h2-10H,1H3
InChIKeySAYCVMOUOAMAPO-UHFFFAOYSA-N
XLogP4.86
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene with MolForge

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Related Compounds

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CID 89416899
14-carbazol-9-yl-9-methyl-8-thia-2,3-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),9,13,15-heptaene
CID 59358801
3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
CID 59359205
17,35-bis(4-methoxyphenyl)-14,32-dithianonacyclo[19.15.0.03,19.04,16.07,15.08,13.022,34.025,33.026,31]hexatriaconta-1,3,5,7(15),8,10,12,16,18,20,22(34),23,25(33),26,28,30,35-heptadecaene
CID 89417515
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11-[(4-methoxyphenyl)methyl]-9,14-dithia-11-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15,17,19-octaen-12-one
CID 11676281
2-(4-methoxyphenyl)-3,4-dimethyl-[1]benzothiolo[2,3-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene?
The IUPAC name of 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene (CID 102193064) is 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene.
What is the SMILES notation for 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene?
The canonical SMILES for 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene is COc1ccc2c(c1)c1c3ccccc3sc1c1ccnn21.
What is the InChIKey of 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene?
The InChIKey is SAYCVMOUOAMAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c1-21-11-6-7-14-13(10-11)17-12-4-2-3-5-16(12)22-18(17)15-8-9-19-20(14)15/h2-10H,1H3.
What are the key properties of 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene?
10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene has a molecular weight of 304.37 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-20-thia-5,6-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,4,7(12),8,10,14,16,18-nonaene is sourced from PubChem (CID 102193064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).