2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole

C18H23N3O2S — CID 131658569

IUPAC2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole
SMILESc1csc(COCc2cncc3c2CCN(CC2CCOC2)C3)n1
InChIInChI=1S/C18H23N3O2S/c1-4-21(9-14-2-5-22-11-14)10-15-7-19-8-16(17(1)15)12-23-13-18-20-3-6-24-18/h3,6-8,14H,1-2,4-5,9-13H2
InChIKeyIUVHFGHPQSGNCZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.65
Rot. Bonds6

About 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole

2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole (PubChem CID 131658569) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole
PubChem CID131658569
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole
SMILESc1csc(COCc2cncc3c2CCN(CC2CCOC2)C3)n1
InChIInChI=1S/C18H23N3O2S/c1-4-21(9-14-2-5-22-11-14)10-15-7-19-8-16(17(1)15)12-23-13-18-20-3-6-24-18/h3,6-8,14H,1-2,4-5,9-13H2
InChIKeyIUVHFGHPQSGNCZ-UHFFFAOYSA-N
XLogP2.65
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole with MolForge

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Related Compounds

2-(cyclopropylmethyl)-5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97463839
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
CID 118742142
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 118742141
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 118742099
1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride
CID 171689999
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide
CID 118742120
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463659
2-(cyclopropylmethyl)-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155846251
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463665
1-(oxolan-3-ylmethyl)pyrrolidin-3-one
CID 62823822
[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-2-ylmethanone
CID 97463814
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-ethoxyethanone
CID 97463820

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole?
The IUPAC name of 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole (CID 131658569) is 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole?
The canonical SMILES for 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole is c1csc(COCc2cncc3c2CCN(CC2CCOC2)C3)n1.
What is the InChIKey of 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole?
The InChIKey is IUVHFGHPQSGNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-4-21(9-14-2-5-22-11-14)10-15-7-19-8-16(17(1)15)12-23-13-18-20-3-6-24-18/h3,6-8,14H,1-2,4-5,9-13H2.
What are the key properties of 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole?
2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole has a molecular weight of 345.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole is sourced from PubChem (CID 131658569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).