[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone

C17H22N4O2S — CID 97463748

IUPAC[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(C)CCOCc1cncc2c1CCN(C(=O)c1cscn1)C2
InChIInChI=1S/C17H22N4O2S/c1-20(2)5-6-23-10-14-8-18-7-13-9-21(4-3-15(13)14)17(22)16-11-24-12-19-16/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyCKKGXPPQAHQNQZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.81
Rot. Bonds6

About [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone

[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97463748) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97463748
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESCN(C)CCOCc1cncc2c1CCN(C(=O)c1cscn1)C2
InChIInChI=1S/C17H22N4O2S/c1-20(2)5-6-23-10-14-8-18-7-13-9-21(4-3-15(13)14)17(22)16-11-24-12-19-16/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyCKKGXPPQAHQNQZ-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone (CID 97463748) is [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone is CN(C)CCOCc1cncc2c1CCN(C(=O)c1cscn1)C2.
What is the InChIKey of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is CKKGXPPQAHQNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20(2)5-6-23-10-14-8-18-7-13-9-21(4-3-15(13)14)17(22)16-11-24-12-19-16/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone?
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97463748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).