7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C19H19N5S — CID 10689158

IUPAC7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESc1csc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)c1
InChIInChI=1S/C19H19N5S/c1-5-16-18(20-7-1)24-8-2-6-17(24)19(21-16)23-11-9-22(10-12-23)14-15-4-3-13-25-15/h1-8,13H,9-12,14H2
InChIKeyFBZIPLZZCYHKRT-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.27
Rot. Bonds3

About 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 10689158) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID10689158
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESc1csc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)c1
InChIInChI=1S/C19H19N5S/c1-5-16-18(20-7-1)24-8-2-6-17(24)19(21-16)23-11-9-22(10-12-23)14-15-4-3-13-25-15/h1-8,13H,9-12,14H2
InChIKeyFBZIPLZZCYHKRT-UHFFFAOYSA-N
XLogP3.27
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene 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 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 10689158) is 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is c1csc(CN2CCN(c3nc4cccnc4n4cccc34)CC2)c1.
What is the InChIKey of 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is FBZIPLZZCYHKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-5-16-18(20-7-1)24-8-2-6-17(24)19(21-16)23-11-9-22(10-12-23)14-15-4-3-13-25-15/h1-8,13H,9-12,14H2.
What are the key properties of 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 349.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 10689158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).