1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone

C17H17N3OS2 — CID 11988170

IUPAC1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3
InChIInChI=1S/C17H17N3OS2/c1-9(21)16-15(18)14-13(12-4-3-7-22-12)10-8-20(2)6-5-11(10)19-17(14)23-16/h3-4,7H,5-6,8,18H2,1-2H3
InChIKeyCEZNNYDQCMSAAN-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.80
Rot. Bonds2

About 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone

1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone (PubChem CID 11988170) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone
PubChem CID11988170
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone
SMILESCC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3
InChIInChI=1S/C17H17N3OS2/c1-9(21)16-15(18)14-13(12-4-3-7-22-12)10-8-20(2)6-5-11(10)19-17(14)23-16/h3-4,7H,5-6,8,18H2,1-2H3
InChIKeyCEZNNYDQCMSAAN-UHFFFAOYSA-N
XLogP3.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone?
The IUPAC name of 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone (CID 11988170) is 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone is CC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3.
What is the InChIKey of 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone?
The InChIKey is CEZNNYDQCMSAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-9(21)16-15(18)14-13(12-4-3-7-22-12)10-8-20(2)6-5-11(10)19-17(14)23-16/h3-4,7H,5-6,8,18H2,1-2H3.
What are the key properties of 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone?
1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone has a molecular weight of 343.48 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone is sourced from PubChem (CID 11988170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).