2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline

C14H15NS — CID 18338329

IUPAC2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(N2CCc3ccccc3C2)s1
InChIInChI=1S/C14H15NS/c1-11-6-7-14(16-11)15-9-8-12-4-2-3-5-13(12)10-15/h2-7H,8-10H2,1H3
InChIKeyFDZCOXKRTMCOJA-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.62
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline

2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 18338329) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID18338329
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(N2CCc3ccccc3C2)s1
InChIInChI=1S/C14H15NS/c1-11-6-7-14(16-11)15-9-8-12-4-2-3-5-13(12)10-15/h2-7H,8-10H2,1H3
InChIKeyFDZCOXKRTMCOJA-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline (CID 18338329) is 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline is Cc1ccc(N2CCc3ccccc3C2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is FDZCOXKRTMCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-11-6-7-14(16-11)15-9-8-12-4-2-3-5-13(12)10-15/h2-7H,8-10H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline?
2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 229.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 18338329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).