N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine

C15H12F3N3OS — CID 175588178

IUPACN,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine
SMILESCNc1ccc(Oc2ccc(C(F)(F)F)cn2)c2sc(C)nc12
InChIInChI=1S/C15H12F3N3OS/c1-8-21-13-10(19-2)4-5-11(14(13)23-8)22-12-6-3-9(7-20-12)15(16,17)18/h3-7,19H,1-2H3
InChIKeyOUQRLSWPEHLCQE-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.85
Rot. Bonds3

About N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine

N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine (PubChem CID 175588178) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine
PubChem CID175588178
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC NameN,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine
SMILESCNc1ccc(Oc2ccc(C(F)(F)F)cn2)c2sc(C)nc12
InChIInChI=1S/C15H12F3N3OS/c1-8-21-13-10(19-2)4-5-11(14(13)23-8)22-12-6-3-9(7-20-12)15(16,17)18/h3-7,19H,1-2H3
InChIKeyOUQRLSWPEHLCQE-UHFFFAOYSA-N
XLogP4.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine?
The IUPAC name of N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine (CID 175588178) is N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine.
What is the SMILES notation for N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine?
The canonical SMILES for N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine is CNc1ccc(Oc2ccc(C(F)(F)F)cn2)c2sc(C)nc12.
What is the InChIKey of N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine?
The InChIKey is OUQRLSWPEHLCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-8-21-13-10(19-2)4-5-11(14(13)23-8)22-12-6-3-9(7-20-12)15(16,17)18/h3-7,19H,1-2H3.
What are the key properties of N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine?
N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine has a molecular weight of 339.34 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-benzothiazol-4-amine is sourced from PubChem (CID 175588178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).