4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C19H12F3N3OS — CID 11383633

IUPAC4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Oc3cncc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)13-6-4-11(5-7-13)12-8-14(10-24-9-12)26-15-2-1-3-16-17(15)25-18(23)27-16/h1-10H,(H2,23,25)
InChIKeyJCTZPTZFCXNVOE-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.75
Rot. Bonds3

About 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine

4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 11383633) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
PubChem CID11383633
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Oc3cncc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)13-6-4-11(5-7-13)12-8-14(10-24-9-12)26-15-2-1-3-16-17(15)25-18(23)27-16/h1-10H,(H2,23,25)
InChIKeyJCTZPTZFCXNVOE-UHFFFAOYSA-N
XLogP5.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 11383633) is 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is Nc1nc2c(Oc3cncc(-c4ccc(C(F)(F)F)cc4)c3)cccc2s1.
What is the InChIKey of 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
The InChIKey is JCTZPTZFCXNVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-19(21,22)13-6-4-11(5-7-13)12-8-14(10-24-9-12)26-15-2-1-3-16-17(15)25-18(23)27-16/h1-10H,(H2,23,25).
What are the key properties of 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine?
4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 387.39 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 11383633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).