N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride

C17H24Cl2N4S — CID 71486265

IUPACN'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(C)CCN1CCc2cc(/N=C(\N)c3cccs3)ccc21.Cl.Cl
InChIInChI=1S/C17H22N4S.2ClH/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16;;/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19);2*1H
InChIKeyFDFZHBOJCKJPBI-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.55
Rot. Bonds5

About N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride

N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 71486265) has the molecular formula C17H24Cl2N4S and a molecular weight of 387.38 g/mol. Its IUPAC name is N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID71486265
Molecular FormulaC17H24Cl2N4S
Molecular Weight387.38 g/mol
Exact Mass386.11
IUPAC NameN'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(C)CCN1CCc2cc(/N=C(\N)c3cccs3)ccc21.Cl.Cl
InChIInChI=1S/C17H22N4S.2ClH/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16;;/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19);2*1H
InChIKeyFDFZHBOJCKJPBI-UHFFFAOYSA-N
XLogP3.55
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride (CID 71486265) is N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride is CN(C)CCN1CCc2cc(/N=C(\N)c3cccs3)ccc21.Cl.Cl.
What is the InChIKey of N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is FDFZHBOJCKJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S.2ClH/c1-20(2)9-10-21-8-7-13-12-14(5-6-15(13)21)19-17(18)16-4-3-11-22-16;;/h3-6,11-12H,7-10H2,1-2H3,(H2,18,19);2*1H.
What are the key properties of N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 387.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 71486265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).