2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

C13H14N4OS — CID 62799079

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESNc1nc(CC(=O)N2CCc3ncccc3C2)cs1
InChIInChI=1S/C13H14N4OS/c14-13-16-10(8-19-13)6-12(18)17-5-3-11-9(7-17)2-1-4-15-11/h1-2,4,8H,3,5-7H2,(H2,14,16)
InChIKeyCNCDJCXVOHNUSG-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.25
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (PubChem CID 62799079) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
PubChem CID62799079
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESNc1nc(CC(=O)N2CCc3ncccc3C2)cs1
InChIInChI=1S/C13H14N4OS/c14-13-16-10(8-19-13)6-12(18)17-5-3-11-9(7-17)2-1-4-15-11/h1-2,4,8H,3,5-7H2,(H2,14,16)
InChIKeyCNCDJCXVOHNUSG-UHFFFAOYSA-N
XLogP1.25
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (CID 62799079) is 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is Nc1nc(CC(=O)N2CCc3ncccc3C2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The InChIKey is CNCDJCXVOHNUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-13-16-10(8-19-13)6-12(18)17-5-3-11-9(7-17)2-1-4-15-11/h1-2,4,8H,3,5-7H2,(H2,14,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone has a molecular weight of 274.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is sourced from PubChem (CID 62799079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).