1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

C13H15N3OS — CID 947413

IUPAC1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCc1nc2sc(C(N)=O)c(N)c2c2c1CCCC2
InChIInChI=1S/C13H15N3OS/c1-6-7-4-2-3-5-8(7)9-10(14)11(12(15)17)18-13(9)16-6/h2-5,14H2,1H3,(H2,15,17)
InChIKeyJSHSDIIWNXVPMX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.16
Rot. Bonds1

About 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 947413) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID947413
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCc1nc2sc(C(N)=O)c(N)c2c2c1CCCC2
InChIInChI=1S/C13H15N3OS/c1-6-7-4-2-3-5-8(7)9-10(14)11(12(15)17)18-13(9)16-6/h2-5,14H2,1H3,(H2,15,17)
InChIKeyJSHSDIIWNXVPMX-UHFFFAOYSA-N
XLogP2.16
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 947413) is 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is Cc1nc2sc(C(N)=O)c(N)c2c2c1CCCC2.
What is the InChIKey of 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is JSHSDIIWNXVPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-6-7-4-2-3-5-8(7)9-10(14)11(12(15)17)18-13(9)16-6/h2-5,14H2,1H3,(H2,15,17).
What are the key properties of 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 947413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).