3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine

C13H12N2S — CID 18785791

IUPAC3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccsc2)Cc2ccccc21
InChIInChI=1S/C13H12N2S/c14-13-11-4-2-1-3-9(11)7-12(15-13)10-5-6-16-8-10/h1-6,8,12H,7H2,(H2,14,15)
InChIKeyMGJCYGSDDRNTQF-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.75
Rot. Bonds1

About 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine

3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785791) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine
PubChem CID18785791
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccsc2)Cc2ccccc21
InChIInChI=1S/C13H12N2S/c14-13-11-4-2-1-3-9(11)7-12(15-13)10-5-6-16-8-10/h1-6,8,12H,7H2,(H2,14,15)
InChIKeyMGJCYGSDDRNTQF-UHFFFAOYSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylsulfanyl-4-phenyl-thiophene-2-carboxamidine
CID 9881397
5-Cyclopropyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 9990159
6-Cyclopropyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785805
5-Thiophen-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785824
5-Phenyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785840
6,7-Dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785892
6-Ethynyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785933
6-Phenyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785938
3-Thiophen-2-yl-3,4-dihydro-isoquinolin-1-ylamine
CID 18785786
5-Phenylethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785810
5-Thiophen-2-yl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10060780
5-Phenylthiophene-2-carboximidamide
CID 146170564

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine (CID 18785791) is 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccsc2)Cc2ccccc21.
What is the InChIKey of 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine?
The InChIKey is MGJCYGSDDRNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c14-13-11-4-2-1-3-9(11)7-12(15-13)10-5-6-16-8-10/h1-6,8,12H,7H2,(H2,14,15).
What are the key properties of 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine?
3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine has a molecular weight of 228.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).