3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile

C16H14N4S2 — CID 663574

IUPAC3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile
SMILESCN1CCc2nc3sc(C#N)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C16H14N4S2/c1-20-5-4-10-9(8-20)13(11-3-2-6-21-11)14-15(18)12(7-17)22-16(14)19-10/h2-3,6H,4-5,8,18H2,1H3
InChIKeyRHAJJYRWAQSUOQ-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.47
Rot. Bonds1

About 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile

3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile (PubChem CID 663574) has the molecular formula C16H14N4S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile
PubChem CID663574
Molecular FormulaC16H14N4S2
Molecular Weight326.45 g/mol
Exact Mass326.07
IUPAC Name3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile
SMILESCN1CCc2nc3sc(C#N)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C16H14N4S2/c1-20-5-4-10-9(8-20)13(11-3-2-6-21-11)14-15(18)12(7-17)22-16(14)19-10/h2-3,6H,4-5,8,18H2,1H3
InChIKeyRHAJJYRWAQSUOQ-UHFFFAOYSA-N
XLogP3.47
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile (CID 663574) is 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile is CN1CCc2nc3sc(C#N)c(N)c3c(-c3cccs3)c2C1.
What is the InChIKey of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile?
The InChIKey is RHAJJYRWAQSUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S2/c1-20-5-4-10-9(8-20)13(11-3-2-6-21-11)14-15(18)12(7-17)22-16(14)19-10/h2-3,6H,4-5,8,18H2,1H3.
What are the key properties of 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile?
3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile has a molecular weight of 326.45 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile is sourced from PubChem (CID 663574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).