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

C14H13N3OS — CID 107646500

IUPAC4-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
SMILESCOc1ccc2c(c1)-c1nc3sc(C)nn3c1CC2
InChIInChI=1S/C14H13N3OS/c1-8-16-17-12-6-4-9-3-5-10(18-2)7-11(9)13(12)15-14(17)19-8/h3,5,7H,4,6H2,1-2H3
InChIKeyPXONFPMBNWMYFG-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.87
Rot. Bonds1

About 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

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 (PubChem CID 107646500) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID107646500
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name4-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
SMILESCOc1ccc2c(c1)-c1nc3sc(C)nn3c1CC2
InChIInChI=1S/C14H13N3OS/c1-8-16-17-12-6-4-9-3-5-10(18-2)7-11(9)13(12)15-14(17)19-8/h3,5,7H,4,6H2,1-2H3
InChIKeyPXONFPMBNWMYFG-UHFFFAOYSA-N
XLogP2.87
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
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
N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylbenzamide
CID 4107573
13-butylsulfanyl-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
CID 11151957
12-benzyl-4,5-dimethoxy-13-thia-10,11,15-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene
CID 10090107
13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
CID 11232473
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline
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2-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 754846
3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 134612648
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)-c1nc3sc(C)nn3c1CC2.
What is the InChIKey of 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?
The InChIKey is PXONFPMBNWMYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-16-17-12-6-4-9-3-5-10(18-2)7-11(9)13(12)15-14(17)19-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 271.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 107646500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).