3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide

C15H17N3O2S — CID 103420038

IUPAC3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCc3ccccc3C2)sc(C(N)=O)c1N
InChIInChI=1S/C15H17N3O2S/c1-20-12-11(16)13(14(17)19)21-15(12)18-7-6-9-4-2-3-5-10(9)8-18/h2-5H,6-8,16H2,1H3,(H2,17,19)
InChIKeyHGOSYUQJPYTSHS-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide

3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103420038) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103420038
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCc3ccccc3C2)sc(C(N)=O)c1N
InChIInChI=1S/C15H17N3O2S/c1-20-12-11(16)13(14(17)19)21-15(12)18-7-6-9-4-2-3-5-10(9)8-18/h2-5H,6-8,16H2,1H3,(H2,17,19)
InChIKeyHGOSYUQJPYTSHS-UHFFFAOYSA-N
XLogP2.00
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carbonitrile
CID 103420028
methyl 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophene-2-carboxylate
CID 103420034
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506664
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
[3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103420026
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
CID 103418027
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide (CID 103420038) is 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide is COc1c(N2CCc3ccccc3C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is HGOSYUQJPYTSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-12-11(16)13(14(17)19)21-15(12)18-7-6-9-4-2-3-5-10(9)8-18/h2-5H,6-8,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide?
3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103420038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).