pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone

C16H11F3N4O2S — CID 71796246

IUPACpyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)10-2-1-3-12-13(10)22-15(26-12)25-9-7-23(8-9)14(24)11-6-20-4-5-21-11/h1-6,9H,7-8H2
InChIKeyBDWVYYILXNMGJH-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.01
Rot. Bonds3

About pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone

pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone (PubChem CID 71796246) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone
PubChem CID71796246
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC Namepyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1
InChIInChI=1S/C16H11F3N4O2S/c17-16(18,19)10-2-1-3-12-13(10)22-15(26-12)25-9-7-23(8-9)14(24)11-6-20-4-5-21-11/h1-6,9H,7-8H2
InChIKeyBDWVYYILXNMGJH-UHFFFAOYSA-N
XLogP3.01
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone (CID 71796246) is pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone is O=C(c1cnccn1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1.
What is the InChIKey of pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone?
The InChIKey is BDWVYYILXNMGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c17-16(18,19)10-2-1-3-12-13(10)22-15(26-12)25-9-7-23(8-9)14(24)11-6-20-4-5-21-11/h1-6,9H,7-8H2.
What are the key properties of pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone?
pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone has a molecular weight of 380.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[3-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 71796246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).