N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride

C19H22Cl2N4S — CID 90665216

IUPACN'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.Cl.Cl
InChIInChI=1S/C19H20N4S.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22);2*1H
InChIKeyZPFLTZZTKXDRFH-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.83
Rot. Bonds3

About N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride

N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 90665216) has the molecular formula C19H22Cl2N4S and a molecular weight of 409.39 g/mol. Its IUPAC name is N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID90665216
Molecular FormulaC19H22Cl2N4S
Molecular Weight409.39 g/mol
Exact Mass408.09
IUPAC NameN'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.Cl.Cl
InChIInChI=1S/C19H20N4S.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22);2*1H
InChIKeyZPFLTZZTKXDRFH-UHFFFAOYSA-N
XLogP4.83
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride (CID 90665216) is N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride is CN1CC=C(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.Cl.Cl.
What is the InChIKey of N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is ZPFLTZZTKXDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22);2*1H.
What are the key properties of N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 409.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 90665216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).