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

C27H31N5O5S — CID 67996109

IUPAC6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(C=C[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](C[C@H](O)CO)O3)c2n1
InChIInChI=1S/C27H31N5O5S/c1-36-25-9-7-21-26(32-25)16(10-11-28-21)2-4-19-5-6-20(22(37-19)12-18(34)14-33)29-13-17-3-8-23-27(30-17)31-24(35)15-38-23/h2-4,7-11,18-20,22,29,33-34H,5-6,12-15H2,1H3,(H,30,31,35)/t18-,19+,20+,22+/m0/s1
InChIKeyNWYPHKAHPGTQSN-GPQLQYNLSA-N
MW537.64 g/mol
LogP2.54
Rot. Bonds9

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

6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 67996109) has the molecular formula C27H31N5O5S and a molecular weight of 537.64 g/mol. Its IUPAC name is 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID67996109
Molecular FormulaC27H31N5O5S
Molecular Weight537.64 g/mol
Exact Mass537.20
IUPAC Name6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1ccc2nccc(C=C[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](C[C@H](O)CO)O3)c2n1
InChIInChI=1S/C27H31N5O5S/c1-36-25-9-7-21-26(32-25)16(10-11-28-21)2-4-19-5-6-20(22(37-19)12-18(34)14-33)29-13-17-3-8-23-27(30-17)31-24(35)15-38-23/h2-4,7-11,18-20,22,29,33-34H,5-6,12-15H2,1H3,(H,30,31,35)/t18-,19+,20+,22+/m0/s1
InChIKeyNWYPHKAHPGTQSN-GPQLQYNLSA-N
XLogP2.54
TPSA138.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.64
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]-2-(2-oxoethyl)oxan-3-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 91096740
tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
CID 69192070
3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 69222743
(2R)-3-[(2R,3R,6S)-3-amino-6-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 87729430
(2S)-3-[(2R,3R,6S)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 67996261
6-[[[(3R,6S)-6-[2-hydroxy-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 69471248
(2S)-3-[(2R,3R,6S)-3-[3-(2,5-difluorophenyl)prop-2-enylamino]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-2-yl]propane-1,2-diol
CID 67996382
6-[[[8-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 45481000
6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11705404
6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527459
6-[[[4-[[(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44527659
6-[[[4-[[(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527658

Frequently Asked Questions

What is the IUPAC name of 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 67996109) is 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1ccc2nccc(C=C[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@@H](C[C@H](O)CO)O3)c2n1.
What is the InChIKey of 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is NWYPHKAHPGTQSN-GPQLQYNLSA-N. The full InChI is InChI=1S/C27H31N5O5S/c1-36-25-9-7-21-26(32-25)16(10-11-28-21)2-4-19-5-6-20(22(37-19)12-18(34)14-33)29-13-17-3-8-23-27(30-17)31-24(35)15-38-23/h2-4,7-11,18-20,22,29,33-34H,5-6,12-15H2,1H3,(H,30,31,35)/t18-,19+,20+,22+/m0/s1.
What are the key properties of 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 537.64 g/mol, XLogP of 2.54, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 67996109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).