N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide

C15H17N3S — CID 10199347

IUPACN'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
SMILESCN1CCc2ccc(/N=C(\N)c3cccs3)cc2C1
InChIInChI=1S/C15H17N3S/c1-18-7-6-11-4-5-13(9-12(11)10-18)17-15(16)14-3-2-8-19-14/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
InChIKeyCSACSOOYFUXTIP-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.77
Rot. Bonds2

About N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide

N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide (PubChem CID 10199347) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
PubChem CID10199347
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
SMILESCN1CCc2ccc(/N=C(\N)c3cccs3)cc2C1
InChIInChI=1S/C15H17N3S/c1-18-7-6-11-4-5-13(9-12(11)10-18)17-15(16)14-3-2-8-19-14/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
InChIKeyCSACSOOYFUXTIP-UHFFFAOYSA-N
XLogP2.77
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
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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Related Compounds

N'-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 23298450
N'-(2-amino-2,3-dihydro-1H-inden-5-yl)thiophene-2-carboximidamide
CID 15871446
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[1-[2-(2-hydroxyethylamino)ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
CID 56950064
N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
CID 56950186
ethyl N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamimidothioate
CID 23218115
N'-[1-[3-(methylamino)propyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;dihydrochloride
CID 57341332
N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)thiophene-2-carboximidamide
CID 67644716
N'-[1-[2-(methylamino)ethyl]-2-methylidene-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
CID 59807080
N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)thiophene-2-carboximidamide;dihydrochloride
CID 67644715
N'-[2-methylidene-1-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide
CID 59807124
N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepin-7-yl]thiophene-2-carboximidamide;dihydrochloride
CID 90665100

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide (CID 10199347) is N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide is CN1CCc2ccc(/N=C(\N)c3cccs3)cc2C1.
What is the InChIKey of N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide?
The InChIKey is CSACSOOYFUXTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-18-7-6-11-4-5-13(9-12(11)10-18)17-15(16)14-3-2-8-19-14/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17).
What are the key properties of N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide?
N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide has a molecular weight of 271.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 10199347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).