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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Related Compounds

4-[2-(2-piperidin-1-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-amine
CID 11720251
2-pyridin-4-yl-4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazole
CID 10433886
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
4-[(5-bromo-3-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 59735755
5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoxalin-2-amine
CID 10249364
5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine
CID 22135546
2-(2-amino-1,3-benzothiazol-4-yl)-5-(trifluoromethyl)phenol
CID 87736788
N-[4-[2-(1H-benzimidazol-2-ylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 11656988
2-phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122183073
N-[4-[2-[(3S)-3-methylpiperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 87732681
2-[2-amino-3-[4-(trifluoromethyl)phenyl]phenoxy]-6-[4-(trifluoromethyl)phenyl]aniline
CID 57275612

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).