[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol

C20H14F3N3O3S — CID 134175013

IUPAC[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol
SMILESCc1cc(-c2nc3cc(F)c4c(c3s2)C[C@H](CO)O4)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C20H14F3N3O3S/c1-8-2-10(16-13(3-8)25-15(6-24-16)29-20(22)23)19-26-14-5-12(21)17-11(18(14)30-19)4-9(7-27)28-17/h2-3,5-6,9,20,27H,4,7H2,1H3/t9-/m1/s1
InChIKeyYJOSNKZWRVIKIM-SECBINFHSA-N
MW433.41 g/mol
LogP4.25
Rot. Bonds4

About [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol

[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol (PubChem CID 134175013) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol.

Molecular Properties

Compound Name[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol
PubChem CID134175013
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol
SMILESCc1cc(-c2nc3cc(F)c4c(c3s2)C[C@H](CO)O4)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C20H14F3N3O3S/c1-8-2-10(16-13(3-8)25-15(6-24-16)29-20(22)23)19-26-14-5-12(21)17-11(18(14)30-19)4-9(7-27)28-17/h2-3,5-6,9,20,27H,4,7H2,1H3/t9-/m1/s1
InChIKeyYJOSNKZWRVIKIM-SECBINFHSA-N
XLogP4.25
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol?
The IUPAC name of [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol (CID 134175013) is [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol.
What is the SMILES notation for [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol?
The canonical SMILES for [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol is Cc1cc(-c2nc3cc(F)c4c(c3s2)C[C@H](CO)O4)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol?
The InChIKey is YJOSNKZWRVIKIM-SECBINFHSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c1-8-2-10(16-13(3-8)25-15(6-24-16)29-20(22)23)19-26-14-5-12(21)17-11(18(14)30-19)4-9(7-27)28-17/h2-3,5-6,9,20,27H,4,7H2,1H3/t9-/m1/s1.
What are the key properties of [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol?
[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol has a molecular weight of 433.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol is sourced from PubChem (CID 134175013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).