5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline

C14H15NS — CID 82583431

IUPAC5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccs2)c2c1CCNC2
InChIInChI=1S/C14H15NS/c1-10-4-5-12(14-3-2-8-16-14)13-9-15-7-6-11(10)13/h2-5,8,15H,6-7,9H2,1H3
InChIKeyXHYFOEHCZGKOHD-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.37
Rot. Bonds1

About 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline

5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82583431) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82583431
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccs2)c2c1CCNC2
InChIInChI=1S/C14H15NS/c1-10-4-5-12(14-3-2-8-16-14)13-9-15-7-6-11(10)13/h2-5,8,15H,6-7,9H2,1H3
InChIKeyXHYFOEHCZGKOHD-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980
N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline
CID 82583439
4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043862
2-(2,4-dimethylphenyl)thiophene
CID 12781163
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-thiophen-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;hydrochloride
CID 82021966
5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 70281218
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
CID 67822914
CID 67822914
8-methyl-5-sulfonyl-1,2,3,4-tetrahydro-3-benzazepin-9-ol
CID 88664456
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
2-(2,6-dimethylphenyl)thiophene
CID 58838883

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 82583431) is 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(-c2cccs2)c2c1CCNC2.
What is the InChIKey of 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XHYFOEHCZGKOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-10-4-5-12(14-3-2-8-16-14)13-9-15-7-6-11(10)13/h2-5,8,15H,6-7,9H2,1H3.
What are the key properties of 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline?
5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 229.35 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82583431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).