1-thiophen-2-yl-3,4-dihydroisoquinoline

C13H11NS — CID 10680102

IUPAC1-thiophen-2-yl-3,4-dihydroisoquinoline
SMILESc1csc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C13H11NS/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9H,7-8H2
InChIKeyREICQFPZDRRBQC-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.14
Rot. Bonds1

About 1-thiophen-2-yl-3,4-dihydroisoquinoline

1-thiophen-2-yl-3,4-dihydroisoquinoline (PubChem CID 10680102) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-thiophen-2-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-thiophen-2-yl-3,4-dihydroisoquinoline
PubChem CID10680102
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name1-thiophen-2-yl-3,4-dihydroisoquinoline
SMILESc1csc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C13H11NS/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9H,7-8H2
InChIKeyREICQFPZDRRBQC-UHFFFAOYSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3,4-dihydroisoquinoline?
The IUPAC name of 1-thiophen-2-yl-3,4-dihydroisoquinoline (CID 10680102) is 1-thiophen-2-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-thiophen-2-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-thiophen-2-yl-3,4-dihydroisoquinoline is c1csc(C2=NCCc3ccccc32)c1.
What is the InChIKey of 1-thiophen-2-yl-3,4-dihydroisoquinoline?
The InChIKey is REICQFPZDRRBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9H,7-8H2.
What are the key properties of 1-thiophen-2-yl-3,4-dihydroisoquinoline?
1-thiophen-2-yl-3,4-dihydroisoquinoline has a molecular weight of 213.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 10680102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).