6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one

C24H26N4O4S — CID 11626868

IUPAC6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4ccc5c(c4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C24H26N4O4S/c1-30-23-7-5-18-24(28-23)20(8-9-25-18)32-13-17-4-3-16(12-31-17)26-11-15-2-6-21-19(10-15)27-22(29)14-33-21/h2,5-10,16-17,26H,3-4,11-14H2,1H3,(H,27,29)/t16-,17+/m1/s1
InChIKeyHWRPVSZEPDHAPX-SJORKVTESA-N
MW466.56 g/mol
LogP3.40
Rot. Bonds7

About 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one

6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one (PubChem CID 11626868) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
PubChem CID11626868
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4ccc5c(c4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C24H26N4O4S/c1-30-23-7-5-18-24(28-23)20(8-9-25-18)32-13-17-4-3-16(12-31-17)26-11-15-2-6-21-19(10-15)27-22(29)14-33-21/h2,5-10,16-17,26H,3-4,11-14H2,1H3,(H,27,29)/t16-,17+/m1/s1
InChIKeyHWRPVSZEPDHAPX-SJORKVTESA-N
XLogP3.40
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one with MolForge

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Related Compounds

6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
CID 10298523
6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69377934
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
(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide
CID 91083502
6-[[[6-[(8-fluoro-6-methoxyquinolin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69468930
(1R,5S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]bicyclo[3.1.0]hexan-3-amine
CID 11654956
(5R)-5-[[[(3R)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25096186
7-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[3,4-b][1,4]thiazin-2-one
CID 10277506
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one
CID 68517776
6-[[[1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-(trifluoromethyl)piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 68565786
N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 89311873
6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
CID 10184214

Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one (CID 11626868) is 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one is COc1ccc2nccc(OC[C@@H]3CC[C@@H](NCc4ccc5c(c4)NC(=O)CS5)CO3)c2n1.
What is the InChIKey of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is HWRPVSZEPDHAPX-SJORKVTESA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-30-23-7-5-18-24(28-23)20(8-9-25-18)32-13-17-4-3-16(12-31-17)26-11-15-2-6-21-19(10-15)27-22(29)14-33-21/h2,5-10,16-17,26H,3-4,11-14H2,1H3,(H,27,29)/t16-,17+/m1/s1.
What are the key properties of 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one?
6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 466.56 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,6S)-6-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]oxan-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 11626868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).