N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride

C19H26Cl2N4S — CID 71486406

IUPACN'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN1CCC(N2CCc3cc(/N=C(\N)c4cccs4)ccc32)CC1.Cl.Cl
InChIInChI=1S/C19H24N4S.2ClH/c1-22-9-7-16(8-10-22)23-11-6-14-13-15(4-5-17(14)23)21-19(20)18-3-2-12-24-18;;/h2-5,12-13,16H,6-11H2,1H3,(H2,20,21);2*1H
InChIKeyUJMGPBQWDFAHED-UHFFFAOYSA-N
MW413.42 g/mol
LogP4.09
Rot. Bonds3

About N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride

N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 71486406) has the molecular formula C19H26Cl2N4S and a molecular weight of 413.42 g/mol. Its IUPAC name is N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID71486406
Molecular FormulaC19H26Cl2N4S
Molecular Weight413.42 g/mol
Exact Mass412.13
IUPAC NameN'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN1CCC(N2CCc3cc(/N=C(\N)c4cccs4)ccc32)CC1.Cl.Cl
InChIInChI=1S/C19H24N4S.2ClH/c1-22-9-7-16(8-10-22)23-11-6-14-13-15(4-5-17(14)23)21-19(20)18-3-2-12-24-18;;/h2-5,12-13,16H,6-11H2,1H3,(H2,20,21);2*1H
InChIKeyUJMGPBQWDFAHED-UHFFFAOYSA-N
XLogP4.09
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride (CID 71486406) is N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride is CN1CCC(N2CCc3cc(/N=C(\N)c4cccs4)ccc32)CC1.Cl.Cl.
What is the InChIKey of N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is UJMGPBQWDFAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S.2ClH/c1-22-9-7-16(8-10-22)23-11-6-14-13-15(4-5-17(14)23)21-19(20)18-3-2-12-24-18;;/h2-5,12-13,16H,6-11H2,1H3,(H2,20,21);2*1H.
What are the key properties of N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 413.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-5-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 71486406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).