N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide

C14H15N3S — CID 22115829

IUPACN'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CNCC2)c1cccs1
InChIInChI=1S/C14H15N3S/c15-14(13-2-1-7-18-13)17-12-4-3-10-5-6-16-9-11(10)8-12/h1-4,7-8,16H,5-6,9H2,(H2,15,17)
InChIKeyYAUBARALXQKENX-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.43
Rot. Bonds2

About N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide

N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide (PubChem CID 22115829) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide
PubChem CID22115829
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CNCC2)c1cccs1
InChIInChI=1S/C14H15N3S/c15-14(13-2-1-7-18-13)17-12-4-3-10-5-6-16-9-11(10)8-12/h1-4,7-8,16H,5-6,9H2,(H2,15,17)
InChIKeyYAUBARALXQKENX-UHFFFAOYSA-N
XLogP2.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.43
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'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide (CID 22115829) is N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)CNCC2)c1cccs1.
What is the InChIKey of N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide?
The InChIKey is YAUBARALXQKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c15-14(13-2-1-7-18-13)17-12-4-3-10-5-6-16-9-11(10)8-12/h1-4,7-8,16H,5-6,9H2,(H2,15,17).
What are the key properties of N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide?
N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide has a molecular weight of 257.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 22115829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).