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

C24H27N5O5S — CID 73333621

IUPAC6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1
InChIKeyGUEBWQFTJDQZMH-NYIVEISTSA-N
MW497.58 g/mol
LogP1.81
Rot. Bonds7

About 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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,6S)-6-[(1S,2R)-1,2-dihydroxy-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 73333621) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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,6S)-6-[(1S,2R)-1,2-dihydroxy-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 CID73333621
Molecular FormulaC24H27N5O5S
Molecular Weight497.58 g/mol
Exact Mass497.17
IUPAC Name6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1
InChIKeyGUEBWQFTJDQZMH-NYIVEISTSA-N
XLogP1.81
TPSA138.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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,6S)-6-[(1S,2R)-1,2-dihydroxy-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,6S)-6-[(1S,2R)-1,2-dihydroxy-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 73333621) is 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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,6S)-6-[(1S,2R)-1,2-dihydroxy-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,6S)-6-[(1S,2R)-1,2-dihydroxy-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([C@@H](O)[C@H](O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1.
What is the InChIKey of 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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 GUEBWQFTJDQZMH-NYIVEISTSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1.
What are the key properties of 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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,6S)-6-[(1S,2R)-1,2-dihydroxy-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 497.58 g/mol, XLogP of 1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-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 73333621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).