1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone

C14H13NOS — CID 116573474

IUPAC1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CNCc2ccccc21
InChIInChI=1S/C14H13NOS/c16-14(13-6-3-7-17-13)12-9-15-8-10-4-1-2-5-11(10)12/h1-7,12,15H,8-9H2
InChIKeyFPGZHPYGUFWSCV-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.82
Rot. Bonds2

About 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone

1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone (PubChem CID 116573474) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
PubChem CID116573474
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)C1CNCc2ccccc21
InChIInChI=1S/C14H13NOS/c16-14(13-6-3-7-17-13)12-9-15-8-10-4-1-2-5-11(10)12/h1-7,12,15H,8-9H2
InChIKeyFPGZHPYGUFWSCV-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrimidin-5-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 116573335
N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260418
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702
(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 116573312
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-thiophen-2-ylmethanone
CID 175855231
N-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)thiophene-2-carboxamide
CID 82585130
piperidin-1-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65260359
(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 103133164
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)hex-5-yn-1-one
CID 116573369
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 107217468

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone (CID 116573474) is 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone is O=C(c1cccs1)C1CNCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone?
The InChIKey is FPGZHPYGUFWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14(13-6-3-7-17-13)12-9-15-8-10-4-1-2-5-11(10)12/h1-7,12,15H,8-9H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone?
1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone has a molecular weight of 243.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 116573474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).