[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate

C19H17FN2O4S — CID 11516603

IUPAC[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate
SMILESCOc1cc(-c2nc3cc(F)ccc3s2)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C19H17FN2O4S/c1-24-16-10-12(18-21-14-11-13(20)3-5-17(14)27-18)2-4-15(16)26-19(23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyJZRSBAWMPICIJJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.94
Rot. Bonds3

About [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate

[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate (PubChem CID 11516603) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate
PubChem CID11516603
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate
SMILESCOc1cc(-c2nc3cc(F)ccc3s2)ccc1OC(=O)N1CCOCC1
InChIInChI=1S/C19H17FN2O4S/c1-24-16-10-12(18-21-14-11-13(20)3-5-17(14)27-18)2-4-15(16)26-19(23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3
InChIKeyJZRSBAWMPICIJJ-UHFFFAOYSA-N
XLogP3.94
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate?
The IUPAC name of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate (CID 11516603) is [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate is COc1cc(-c2nc3cc(F)ccc3s2)ccc1OC(=O)N1CCOCC1.
What is the InChIKey of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate?
The InChIKey is JZRSBAWMPICIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-24-16-10-12(18-21-14-11-13(20)3-5-17(14)27-18)2-4-15(16)26-19(23)22-6-8-25-9-7-22/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate?
[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methoxyphenyl] morpholine-4-carboxylate is sourced from PubChem (CID 11516603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).