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

C16H15N5S — CID 11001368

IUPAC14-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
SMILESCCCc1nnc2n1N=Cc1cc3cc(C)ccc3nc1S2
InChIInChI=1S/C16H15N5S/c1-3-4-14-19-20-16-21(14)17-9-12-8-11-7-10(2)5-6-13(11)18-15(12)22-16/h5-9H,3-4H2,1-2H3
InChIKeyAHGCTWGZJLZTHX-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.43
Rot. Bonds2

About 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

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 (PubChem CID 11001368) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID11001368
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC Name14-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
SMILESCCCc1nnc2n1N=Cc1cc3cc(C)ccc3nc1S2
InChIInChI=1S/C16H15N5S/c1-3-4-14-19-20-16-21(14)17-9-12-8-11-7-10(2)5-6-13(11)18-15(12)22-16/h5-9H,3-4H2,1-2H3
InChIKeyAHGCTWGZJLZTHX-UHFFFAOYSA-N
XLogP3.43
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
6-methyl-2-propylquinolin-3-ol
CID 165468297
(11R)-11-chloro-14-(4-chlorophenyl)-6-methyl-17-thia-2,12,13,15-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,13,15-heptaene
CID 125115239
2,7-dimethylacridine
CID 14490101
3-butyl-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 11507508
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
3-chloro-4-(2-fluoro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 55182755
2-hexadecyl-6-methylquinoline
CID 4997368
6-(4-fluorophenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 20895450
6-(3,4-dimethoxyphenyl)-3-propyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 658894
3-chloro-4-[(4-methylphenyl)methyl]-5-propyl-1,2,4-triazole
CID 63384540
6-methylcinnolin-3-amine
CID 142584156

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1nnc2n1N=Cc1cc3cc(C)ccc3nc1S2.
What is the InChIKey of 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?
The InChIKey is AHGCTWGZJLZTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c1-3-4-14-19-20-16-21(14)17-9-12-8-11-7-10(2)5-6-13(11)18-15(12)22-16/h5-9H,3-4H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 309.40 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11001368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).