2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone

C14H17N3OS — CID 170860038

IUPAC2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone
SMILESCc1nc2sc(C(=O)CN)c(N)c2c2c1CCCC2
InChIInChI=1S/C14H17N3OS/c1-7-8-4-2-3-5-9(8)11-12(16)13(10(18)6-15)19-14(11)17-7/h2-6,15-16H2,1H3
InChIKeyHMBQRCOWTLQFEV-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.21
Rot. Bonds2

About 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone

2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone (PubChem CID 170860038) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone
PubChem CID170860038
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone
SMILESCc1nc2sc(C(=O)CN)c(N)c2c2c1CCCC2
InChIInChI=1S/C14H17N3OS/c1-7-8-4-2-3-5-9(8)11-12(16)13(10(18)6-15)19-14(11)17-7/h2-6,15-16H2,1H3
InChIKeyHMBQRCOWTLQFEV-UHFFFAOYSA-N
XLogP2.21
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone (CID 170860038) is 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone is Cc1nc2sc(C(=O)CN)c(N)c2c2c1CCCC2.
What is the InChIKey of 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone?
The InChIKey is HMBQRCOWTLQFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-7-8-4-2-3-5-9(8)11-12(16)13(10(18)6-15)19-14(11)17-7/h2-6,15-16H2,1H3.
What are the key properties of 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone?
2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone has a molecular weight of 275.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone is sourced from PubChem (CID 170860038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).