(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine

C16H16N4O2S — CID 176863511

IUPAC(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESc1cnc2cc(-c3ccns3)nc(OC[C@@H]3CNCCO3)c2c1
InChIInChI=1S/C16H16N4O2S/c1-2-12-13(18-4-1)8-14(15-3-5-19-23-15)20-16(12)22-10-11-9-17-6-7-21-11/h1-5,8,11,17H,6-7,9-10H2/t11-/m0/s1
InChIKeyJPDGZPFYMGCEKG-NSHDSACASA-N
MW328.40 g/mol
LogP2.12
Rot. Bonds4

About (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine

(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine (PubChem CID 176863511) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
PubChem CID176863511
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine
SMILESc1cnc2cc(-c3ccns3)nc(OC[C@@H]3CNCCO3)c2c1
InChIInChI=1S/C16H16N4O2S/c1-2-12-13(18-4-1)8-14(15-3-5-19-23-15)20-16(12)22-10-11-9-17-6-7-21-11/h1-5,8,11,17H,6-7,9-10H2/t11-/m0/s1
InChIKeyJPDGZPFYMGCEKG-NSHDSACASA-N
XLogP2.12
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The IUPAC name of (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine (CID 176863511) is (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine.
What is the SMILES notation for (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The canonical SMILES for (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine is c1cnc2cc(-c3ccns3)nc(OC[C@@H]3CNCCO3)c2c1.
What is the InChIKey of (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
The InChIKey is JPDGZPFYMGCEKG-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-12-13(18-4-1)8-14(15-3-5-19-23-15)20-16(12)22-10-11-9-17-6-7-21-11/h1-5,8,11,17H,6-7,9-10H2/t11-/m0/s1.
What are the key properties of (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine?
(2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine has a molecular weight of 328.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-(1,2-thiazol-5-yl)-1,6-naphthyridin-5-yl]oxymethyl]morpholine is sourced from PubChem (CID 176863511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).