N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride

C20H26Cl2N4OS — CID 67340183

IUPACN'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(ccn2CCCN2CCOCC2)c1)c1cccs1
InChIInChI=1S/C20H24N4OS.2ClH/c21-20(19-3-1-14-26-19)22-17-4-5-18-16(15-17)6-9-24(18)8-2-7-23-10-12-25-13-11-23;;/h1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22);2*1H
InChIKeyFTGSHBPGYUPWSN-UHFFFAOYSA-N
MW441.43 g/mol
LogP4.31
Rot. Bonds6

About N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride

N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 67340183) has the molecular formula C20H26Cl2N4OS and a molecular weight of 441.43 g/mol. Its IUPAC name is N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID67340183
Molecular FormulaC20H26Cl2N4OS
Molecular Weight441.43 g/mol
Exact Mass440.12
IUPAC NameN'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(ccn2CCCN2CCOCC2)c1)c1cccs1
InChIInChI=1S/C20H24N4OS.2ClH/c21-20(19-3-1-14-26-19)22-17-4-5-18-16(15-17)6-9-24(18)8-2-7-23-10-12-25-13-11-23;;/h1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22);2*1H
InChIKeyFTGSHBPGYUPWSN-UHFFFAOYSA-N
XLogP4.31
TPSA55.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride (CID 67340183) is N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccc2c(ccn2CCCN2CCOCC2)c1)c1cccs1.
What is the InChIKey of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is FTGSHBPGYUPWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS.2ClH/c21-20(19-3-1-14-26-19)22-17-4-5-18-16(15-17)6-9-24(18)8-2-7-23-10-12-25-13-11-23;;/h1,3-6,9,14-15H,2,7-8,10-13H2,(H2,21,22);2*1H.
What are the key properties of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 441.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 67340183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).