2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide

C20H26N4OS — CID 23282475

IUPAC2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1NCC(/N=C(\N)c2cccs2)c2ccccc21
InChIInChI=1S/C20H26N4OS/c1-3-24(4-2)19(25)12-16-14-8-5-6-9-15(14)17(13-22-16)23-20(21)18-10-7-11-26-18/h5-11,16-17,22H,3-4,12-13H2,1-2H3,(H2,21,23)
InChIKeyYFPIZZCHJSGUBW-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.10
Rot. Bonds6

About 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide

2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide (PubChem CID 23282475) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide
PubChem CID23282475
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1NCC(/N=C(\N)c2cccs2)c2ccccc21
InChIInChI=1S/C20H26N4OS/c1-3-24(4-2)19(25)12-16-14-8-5-6-9-15(14)17(13-22-16)23-20(21)18-10-7-11-26-18/h5-11,16-17,22H,3-4,12-13H2,1-2H3,(H2,21,23)
InChIKeyYFPIZZCHJSGUBW-UHFFFAOYSA-N
XLogP3.10
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.10
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'}

Analyze 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide with MolForge

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Related Compounds

Preparation of (2R,4S)N((S)-1-(((5-((Z)N-hydroxycarbamimidoyl)thiophen-2-yl)methyl)amino)-1-oxopropan-2-yl)-4-phenylpiperidine-2-carboxamide hydrochloride
CID 156439061
(3S)-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 47091319
N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 51103350
(3S)-N-(tert-butyl)-2-(2-thienylmethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 56888082
N-methyl-N-[(2-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]-2-(2-thienyl)acetamide
CID 70739835
methyl 1-((thiophen-2-ylmethyl)carbamoyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 71794173
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea
CID 71898046
N-[1-(1-phenylethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 72012173
5-[(3-Methylthiophen-2-YL)methyl]-4-phenyl-1,5-diazecan-2-one
CID 110200147
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(thiophen-2-yl)ethyl)-3,3-dimethylbutanamide
CID 18577830
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(thiophen-2-yl)ethyl)cyclopropanecarboxamide
CID 18577834
2-ethyl-3-oxo-N-(thiophen-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide
CID 53147546

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide (CID 23282475) is 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CC1NCC(/N=C(\N)c2cccs2)c2ccccc21.
What is the InChIKey of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide?
The InChIKey is YFPIZZCHJSGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-3-24(4-2)19(25)12-16-14-8-5-6-9-15(14)17(13-22-16)23-20(21)18-10-7-11-26-18/h5-11,16-17,22H,3-4,12-13H2,1-2H3,(H2,21,23).
What are the key properties of 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide?
2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide has a molecular weight of 370.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[amino(thiophen-2-yl)methylidene]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 23282475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).