14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene

C16H15N5OS — CID 11034722

IUPAC14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
SMILESCCCc1nnc2n1N=Cc1cc3cc(OC)ccc3nc1S2
InChIInChI=1S/C16H15N5OS/c1-3-4-14-19-20-16-21(14)17-9-11-7-10-8-12(22-2)5-6-13(10)18-15(11)23-16/h5-9H,3-4H2,1-2H3
InChIKeyNSNYUDBKSZGDQJ-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.13
Rot. Bonds3

About 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene

14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene (PubChem CID 11034722) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene.

Molecular Properties

Compound Name14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
PubChem CID11034722
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
SMILESCCCc1nnc2n1N=Cc1cc3cc(OC)ccc3nc1S2
InChIInChI=1S/C16H15N5OS/c1-3-4-14-19-20-16-21(14)17-9-11-7-10-8-12(22-2)5-6-13(10)18-15(11)23-16/h5-9H,3-4H2,1-2H3
InChIKeyNSNYUDBKSZGDQJ-UHFFFAOYSA-N
XLogP3.13
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

14-methyl-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
CID 11001368
14-methoxy-6-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
CID 11022869
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6-methoxy-N,3-dipropylquinolin-2-amine
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6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
1-(2-chloro-6-methoxyquinolin-3-yl)pentan-1-ol
CID 132776082
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
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CID 658894
6-(4-methoxyphenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 45129297
2-(2,6-dimethoxyquinolin-3-yl)ethanamine
CID 170868890
2-ethyl-5-methoxyindazole
CID 10856015
4-(2,5-dimethoxyphenyl)-2-propylimidazole-1,5-diamine
CID 62506594

Frequently Asked Questions

What is the IUPAC name of 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
The IUPAC name of 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene (CID 11034722) is 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene.
What is the SMILES notation for 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
The canonical SMILES for 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene is CCCc1nnc2n1N=Cc1cc3cc(OC)ccc3nc1S2.
What is the InChIKey of 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
The InChIKey is NSNYUDBKSZGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-3-4-14-19-20-16-21(14)17-9-11-7-10-8-12(22-2)5-6-13(10)18-15(11)23-16/h5-9H,3-4H2,1-2H3.
What are the key properties of 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene?
14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene has a molecular weight of 325.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-6-propyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene is sourced from PubChem (CID 11034722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).