11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one

C19H24N6O2S — CID 22914420

IUPAC11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one
SMILESCCCN(CCC)Cc1nnc(-c2ncn3c2CN(C)C(=O)c2sccc2-3)o1
InChIInChI=1S/C19H24N6O2S/c1-4-7-24(8-5-2)11-15-21-22-18(27-15)16-14-10-23(3)19(26)17-13(6-9-28-17)25(14)12-20-16/h6,9,12H,4-5,7-8,10-11H2,1-3H3
InChIKeySBTZLDCZZQDLOT-UHFFFAOYSA-N
MW400.51 g/mol
LogP3.19
Rot. Bonds7

About 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one

11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one (PubChem CID 22914420) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one.

Molecular Properties

Compound Name11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one
PubChem CID22914420
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one
SMILESCCCN(CCC)Cc1nnc(-c2ncn3c2CN(C)C(=O)c2sccc2-3)o1
InChIInChI=1S/C19H24N6O2S/c1-4-7-24(8-5-2)11-15-21-22-18(27-15)16-14-10-23(3)19(26)17-13(6-9-28-17)25(14)12-20-16/h6,9,12H,4-5,7-8,10-11H2,1-3H3
InChIKeySBTZLDCZZQDLOT-UHFFFAOYSA-N
XLogP3.19
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one?
The IUPAC name of 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one (CID 22914420) is 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one.
What is the SMILES notation for 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one?
The canonical SMILES for 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one is CCCN(CCC)Cc1nnc(-c2ncn3c2CN(C)C(=O)c2sccc2-3)o1.
What is the InChIKey of 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one?
The InChIKey is SBTZLDCZZQDLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-4-7-24(8-5-2)11-15-21-22-18(27-15)16-14-10-23(3)19(26)17-13(6-9-28-17)25(14)12-20-16/h6,9,12H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one?
11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one has a molecular weight of 400.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-[(dipropylamino)methyl]-1,3,4-oxadiazol-2-yl]-8-methyl-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraen-7-one is sourced from PubChem (CID 22914420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).