6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C24H27N5O3S — CID 69470127

IUPAC6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1
InChIKeyZIEKVRDXDUZMKV-QZTJIDSGSA-N
MW465.58 g/mol
LogP3.35
Rot. Bonds7

About 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 69470127) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID69470127
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1
InChIKeyZIEKVRDXDUZMKV-QZTJIDSGSA-N
XLogP3.35
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 69470127) is 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1.
What is the InChIKey of 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is ZIEKVRDXDUZMKV-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1.
What are the key properties of 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 465.58 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 69470127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).