(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol

C21H19N3O3S — CID 139580079

IUPAC(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)C[C@@H]([C@@H](C)O)O5)cc(C)cc2n1
InChIInChI=1S/C21H19N3O3S/c1-10-6-13(19-15(7-10)23-18(26-3)9-22-19)21-24-14-4-5-16-12(20(14)28-21)8-17(27-16)11(2)25/h4-7,9,11,17,25H,8H2,1-3H3/t11-,17+/m1/s1
InChIKeyOMFLONXSOVRUGA-DIFFPNOSSA-N
MW393.47 g/mol
LogP3.91
Rot. Bonds3

About (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol

(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol (PubChem CID 139580079) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol
PubChem CID139580079
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)C[C@@H]([C@@H](C)O)O5)cc(C)cc2n1
InChIInChI=1S/C21H19N3O3S/c1-10-6-13(19-15(7-10)23-18(26-3)9-22-19)21-24-14-4-5-16-12(20(14)28-21)8-17(27-16)11(2)25/h4-7,9,11,17,25H,8H2,1-3H3/t11-,17+/m1/s1
InChIKeyOMFLONXSOVRUGA-DIFFPNOSSA-N
XLogP3.91
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol with MolForge

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Related Compounds

2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
CID 134174328
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate
CID 175222598
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134174859
[(7R)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580122
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580082
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid
CID 139580120
oxolan-3-yl N-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 139579994
[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-4-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134174788
7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole
CID 134174989
2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 134174723
1-[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-4-yl]-2,2-dimethylpropan-1-ol
CID 139580296
[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134175013

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol?
The IUPAC name of (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol (CID 139580079) is (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol.
What is the SMILES notation for (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol?
The canonical SMILES for (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol is COc1cnc2c(-c3nc4ccc5c(c4s3)C[C@@H]([C@@H](C)O)O5)cc(C)cc2n1.
What is the InChIKey of (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol?
The InChIKey is OMFLONXSOVRUGA-DIFFPNOSSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-10-6-13(19-15(7-10)23-18(26-3)9-22-19)21-24-14-4-5-16-12(20(14)28-21)8-17(27-16)11(2)25/h4-7,9,11,17,25H,8H2,1-3H3/t11-,17+/m1/s1.
What are the key properties of (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol?
(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol has a molecular weight of 393.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol is sourced from PubChem (CID 139580079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).