N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide

C17H20N4S — CID 56950067

IUPACN'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(C1CCNC1)CC2)c1cccs1
InChIInChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-4-3-12-6-8-21(15(12)10-13)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20)
InChIKeyKLHSRXULOAKIFQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.51
Rot. Bonds3

About N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide

N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide (PubChem CID 56950067) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
PubChem CID56950067
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC NameN'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(C1CCNC1)CC2)c1cccs1
InChIInChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-4-3-12-6-8-21(15(12)10-13)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20)
InChIKeyKLHSRXULOAKIFQ-UHFFFAOYSA-N
XLogP2.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
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-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide (CID 56950067) is N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)N(C1CCNC1)CC2)c1cccs1.
What is the InChIKey of N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The InChIKey is KLHSRXULOAKIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c18-17(16-2-1-9-22-16)20-13-4-3-12-6-8-21(15(12)10-13)14-5-7-19-11-14/h1-4,9-10,14,19H,5-8,11H2,(H2,18,20).
What are the key properties of N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide has a molecular weight of 312.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-pyrrolidin-3-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 56950067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).