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

C20H24N4OS — CID 24758918

IUPACN'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(ccn2CCCN2CCOCC2)c1)c1cccs1
InChIInChI=1S/C20H24N4OS/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)
InChIKeyGMLWPXAKHNIIIX-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.46
Rot. Bonds6

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

N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide (PubChem CID 24758918) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide
PubChem CID24758918
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(ccn2CCCN2CCOCC2)c1)c1cccs1
InChIInChI=1S/C20H24N4OS/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)
InChIKeyGMLWPXAKHNIIIX-UHFFFAOYSA-N
XLogP3.46
TPSA55.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.46
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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Related Compounds

N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide
CID 11955738
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d
CID 5329364
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
N-[3-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)-1H-indol-5-yl]-2-thiophenecarboximidamide
CID 15951194
(2-Methyl-1H-indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 10434122
(1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 18382861
N-(1-(3-(diethylamino)propyl)-1H-indol-6-yl)thiophene-2-carboximidamide dihydrochloride
CID 66912425
N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide;dihydrochloride
CID 67340183
N-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide dihydrochloride
CID 90665216
N'-[1-[3-[(1-ethylpyrrolidin-2-yl)methylamino]propyl]indol-5-yl]thiophene-2-carboximidamide;hydrochloride
CID 56668328
N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;hydrochloride
CID 57384807

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide (CID 24758918) is N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2c(ccn2CCCN2CCOCC2)c1)c1cccs1.
What is the InChIKey of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is GMLWPXAKHNIIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/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).
What are the key properties of N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide?
N'-[1-(3-morpholin-4-ylpropyl)indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 368.51 g/mol, XLogP of 3.46, 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 is sourced from PubChem (CID 24758918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).