N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide

C19H19N7O2S — CID 92900192

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide (PubChem CID 92900192) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide
• PubChem CID: 92900192
• Molecular Formula: C19H19N7O2S
• Molecular Weight: 409.48 g/mol
• Exact Mass: 409.13
• IUPAC Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide
• SMILES: CN(C)c1nc2ncn3c(=O)n(CC(=O)N[C@H]4CCc5ccccc54)nc3c2s1
• InChI: InChI=1S/C19H19N7O2S/c1-24(2)18-22-16-15(29-18)17-23-26(19(28)25(17)10-20-16)9-14(27)21-13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,7-9H2,1-2H3,(H,21,27)/t13-/m0/s1
• InChIKey: DTBHERDOUXMJNX-ZDUSSCGKSA-N
• XLogP: 1.37
• TPSA: 97.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.48
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide?

The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide (CID 92900192) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide.

What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide?

The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide is CN(C)c1nc2ncn3c(=O)n(CC(=O)N[C@H]4CCc5ccccc54)nc3c2s1.

What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide?

The InChIKey is DTBHERDOUXMJNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-24(2)18-22-16-15(29-18)17-23-26(19(28)25(17)10-20-16)9-14(27)21-13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,7-9H2,1-2H3,(H,21,27)/t13-/m0/s1.

What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide?

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide has a molecular weight of 409.48 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide is sourced from PubChem (CID 92900192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).