N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide

C17H22N4OS — CID 56950064

IUPACN'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(CCNCCO)CC2)c1cccs1
InChIInChI=1S/C17H22N4OS/c18-17(16-2-1-11-23-16)20-14-4-3-13-5-8-21(15(13)12-14)9-6-19-7-10-22/h1-4,11-12,19,22H,5-10H2,(H2,18,20)
InChIKeyMLBSLQLSQSSWSF-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.73
Rot. Bonds7

About N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide

N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide (PubChem CID 56950064) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
PubChem CID56950064
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(CCNCCO)CC2)c1cccs1
InChIInChI=1S/C17H22N4OS/c18-17(16-2-1-11-23-16)20-14-4-3-13-5-8-21(15(13)12-14)9-6-19-7-10-22/h1-4,11-12,19,22H,5-10H2,(H2,18,20)
InChIKeyMLBSLQLSQSSWSF-UHFFFAOYSA-N
XLogP1.73
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(N'-[4-[2-(ethylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-6-yl]thiophene-2-carboximidamide);methanol
CID 158287401
N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 10199347
N'-[4-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]thiophene-2-carboximidamide
CID 44546584
N'-[1-[3-(methylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341332
N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
CID 56950186
N'-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 23298450
N'-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide
CID 25014790
N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
CID 59807080
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-(2-amino-2,3-dihydro-1H-inden-5-yl)thiophene-2-carboximidamide
CID 15871446
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]thiophene-2-carboximidamide;dihydrochloride
CID 90665100
tert-butyl N-[3-[6-[[amino(thiophen-2-yl)methylidene]amino]-3,4-dihydro-2H-quinolin-1-yl]propyl]-N-(2-hydroxyethyl)carbamate
CID 57341140

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide (CID 56950064) is N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)N(CCNCCO)CC2)c1cccs1.
What is the InChIKey of N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
The InChIKey is MLBSLQLSQSSWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c18-17(16-2-1-11-23-16)20-14-4-3-13-5-8-21(15(13)12-14)9-6-19-7-10-22/h1-4,11-12,19,22H,5-10H2,(H2,18,20).
What are the key properties of N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide has a molecular weight of 330.46 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 56950064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).