5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene

C20H25N5S — CID 69489601

IUPAC5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
SMILESCN1CCN(C2=c3ncccc3=CNc3sc(C4CCCC4)nc32)CC1
InChIInChI=1S/C20H25N5S/c1-24-9-11-25(12-10-24)18-16-15(7-4-8-21-16)13-22-20-17(18)23-19(26-20)14-5-2-3-6-14/h4,7-8,13-14,22H,2-3,5-6,9-12H2,1H3
InChIKeyJWBJDBIUGQIQJJ-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.76
Rot. Bonds2

About 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene

5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene (PubChem CID 69489601) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene.

Molecular Properties

Compound Name5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
PubChem CID69489601
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
SMILESCN1CCN(C2=c3ncccc3=CNc3sc(C4CCCC4)nc32)CC1
InChIInChI=1S/C20H25N5S/c1-24-9-11-25(12-10-24)18-16-15(7-4-8-21-16)13-22-20-17(18)23-19(26-20)14-5-2-3-6-14/h4,7-8,13-14,22H,2-3,5-6,9-12H2,1H3
InChIKeyJWBJDBIUGQIQJJ-UHFFFAOYSA-N
XLogP1.76
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(2-methoxyethyl)-4-propylpiperazin-1-yl]-5-(trifluoromethyl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
CID 69214039
2-[4-cyclopropyl-3-(2-methoxyethyl)piperazin-1-yl]-5-propan-2-yl-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene;dihydrochloride
CID 69213848
2-[3-(2-phenylethyl)piperazin-1-yl]-5-propan-2-yl-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
CID 69486957
2-[2-[2-(2-methoxyethyl)-4-[5-(trifluoromethyl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-yl]piperazin-1-yl]ethoxy]ethanol;dihydrochloride
CID 69213733
2-[3-(2-methoxyethyl)piperazin-1-yl]-5-(3,3,3-trifluoropropyl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
CID 69211659
2-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
CID 69214894
2-cyclohexyl-[1,3]thiazolo[4,5-b]pyridine
CID 139087737
2-(1-methylpyrrolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinoline
CID 67758296
5-methyl-2-[4-methyl-3-(2-pyridin-4-ylethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
CID 69489910
2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene;dihydrochloride
CID 69215143
5-tert-butyl-2-[4-methyl-3-(2-phenylethyl)piperazin-1-yl]-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene;dihydrochloride
CID 69489975
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The IUPAC name of 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene (CID 69489601) is 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene.
What is the SMILES notation for 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The canonical SMILES for 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene is CN1CCN(C2=c3ncccc3=CNc3sc(C4CCCC4)nc32)CC1.
What is the InChIKey of 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The InChIKey is JWBJDBIUGQIQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-24-9-11-25(12-10-24)18-16-15(7-4-8-21-16)13-22-20-17(18)23-19(26-20)14-5-2-3-6-14/h4,7-8,13-14,22H,2-3,5-6,9-12H2,1H3.
What are the key properties of 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene has a molecular weight of 367.52 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(4-methylpiperazin-1-yl)-6-thia-4,8,14-triazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene is sourced from PubChem (CID 69489601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).