5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide

C15H16N2OS — CID 63900297

IUPAC5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CNCC3)s1
InChIInChI=1S/C15H16N2OS/c1-10-2-5-14(19-10)15(18)17-13-4-3-11-6-7-16-9-12(11)8-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyRJMGUJJRGCQREJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.95
Rot. Bonds2

About 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide

5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide (PubChem CID 63900297) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
PubChem CID63900297
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CNCC3)s1
InChIInChI=1S/C15H16N2OS/c1-10-2-5-14(19-10)15(18)17-13-4-3-11-6-7-16-9-12(11)8-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyRJMGUJJRGCQREJ-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
2,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide;hydrochloride
CID 119581059
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
2-bromo-3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107983127
3-chloro-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 107098171
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide (CID 63900297) is 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3c(c2)CNCC3)s1.
What is the InChIKey of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide?
The InChIKey is RJMGUJJRGCQREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-2-5-14(19-10)15(18)17-13-4-3-11-6-7-16-9-12(11)8-13/h2-5,8,16H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide?
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide is sourced from PubChem (CID 63900297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).