4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine

C18H11F3N4OS — CID 11463370

IUPAC4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Oc3cncc(-c4ccc(C(F)(F)F)cc4)n3)cccc2s1
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)11-6-4-10(5-7-11)12-8-23-9-15(24-12)26-13-2-1-3-14-16(13)25-17(22)27-14/h1-9H,(H2,22,25)
InChIKeyQKNKCVORXOJMQM-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.15
Rot. Bonds3

About 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine

4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine (PubChem CID 11463370) has the molecular formula C18H11F3N4OS and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine
PubChem CID11463370
Molecular FormulaC18H11F3N4OS
Molecular Weight388.37 g/mol
Exact Mass388.06
IUPAC Name4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Oc3cncc(-c4ccc(C(F)(F)F)cc4)n3)cccc2s1
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)11-6-4-10(5-7-11)12-8-23-9-15(24-12)26-13-2-1-3-14-16(13)25-17(22)27-14/h1-9H,(H2,22,25)
InChIKeyQKNKCVORXOJMQM-UHFFFAOYSA-N
XLogP5.15
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine?
The IUPAC name of 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine (CID 11463370) is 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine is Nc1nc2c(Oc3cncc(-c4ccc(C(F)(F)F)cc4)n3)cccc2s1.
What is the InChIKey of 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine?
The InChIKey is QKNKCVORXOJMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4OS/c19-18(20,21)11-6-4-10(5-7-11)12-8-23-9-15(24-12)26-13-2-1-3-14-16(13)25-17(22)27-14/h1-9H,(H2,22,25).
What are the key properties of 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine?
4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine has a molecular weight of 388.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]oxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 11463370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).