N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

C19H16F3N3O3S — CID 23320452

IUPACN-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc3sncc3c2)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)15-10-13(24-18(26)25-5-7-27-8-6-25)1-3-16(15)28-14-2-4-17-12(9-14)11-23-29-17/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyJKEOGCMZODYFHZ-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.97
Rot. Bonds3

About N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (PubChem CID 23320452) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
PubChem CID23320452
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC NameN-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc3sncc3c2)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C19H16F3N3O3S/c20-19(21,22)15-10-13(24-18(26)25-5-7-27-8-6-25)1-3-16(15)28-14-2-4-17-12(9-14)11-23-29-17/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyJKEOGCMZODYFHZ-UHFFFAOYSA-N
XLogP4.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (CID 23320452) is N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is O=C(Nc1ccc(Oc2ccc3sncc3c2)c(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is JKEOGCMZODYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c20-19(21,22)15-10-13(24-18(26)25-5-7-27-8-6-25)1-3-16(15)28-14-2-4-17-12(9-14)11-23-29-17/h1-4,9-11H,5-8H2,(H,24,26).
What are the key properties of N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-benzothiazol-5-yloxy)-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 23320452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).