9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide

C24H27N7OS — CID 71529722

IUPAC9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
SMILESCOc1ccc(Nc2ncnc3ccc4nc(/C(N)=N/CCN5CCCCC5)sc4c23)cc1
InChIInChI=1S/C24H27N7OS/c1-32-17-7-5-16(6-8-17)29-23-20-18(27-15-28-23)9-10-19-21(20)33-24(30-19)22(25)26-11-14-31-12-3-2-4-13-31/h5-10,15H,2-4,11-14H2,1H3,(H2,25,26)(H,27,28,29)
InChIKeySWJQLQZBSDBAPL-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.18
Rot. Bonds7

About 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide

9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide (PubChem CID 71529722) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide.

Molecular Properties

Compound Name9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
PubChem CID71529722
Molecular FormulaC24H27N7OS
Molecular Weight461.60 g/mol
Exact Mass461.20
IUPAC Name9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
SMILESCOc1ccc(Nc2ncnc3ccc4nc(/C(N)=N/CCN5CCCCC5)sc4c23)cc1
InChIInChI=1S/C24H27N7OS/c1-32-17-7-5-16(6-8-17)29-23-20-18(27-15-28-23)9-10-19-21(20)33-24(30-19)22(25)26-11-14-31-12-3-2-4-13-31/h5-10,15H,2-4,11-14H2,1H3,(H2,25,26)(H,27,28,29)
InChIKeySWJQLQZBSDBAPL-UHFFFAOYSA-N
XLogP4.18
TPSA101.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide 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 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The IUPAC name of 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide (CID 71529722) is 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide.
What is the SMILES notation for 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The canonical SMILES for 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide is COc1ccc(Nc2ncnc3ccc4nc(/C(N)=N/CCN5CCCCC5)sc4c23)cc1.
What is the InChIKey of 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The InChIKey is SWJQLQZBSDBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-32-17-7-5-16(6-8-17)29-23-20-18(27-15-28-23)9-10-19-21(20)33-24(30-19)22(25)26-11-14-31-12-3-2-4-13-31/h5-10,15H,2-4,11-14H2,1H3,(H2,25,26)(H,27,28,29).
What are the key properties of 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide has a molecular weight of 461.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide is sourced from PubChem (CID 71529722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).