5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine

C15H14FN3OS — CID 71460938

IUPAC5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(OCCF)cc3s2)cn1
InChIInChI=1S/C15H14FN3OS/c1-17-14-5-2-10(9-18-14)15-19-12-4-3-11(20-7-6-16)8-13(12)21-15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyVSBHDTPIFLEPGY-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.75
Rot. Bonds5

About 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine

5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine (PubChem CID 71460938) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
PubChem CID71460938
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(OCCF)cc3s2)cn1
InChIInChI=1S/C15H14FN3OS/c1-17-14-5-2-10(9-18-14)15-19-12-4-3-11(20-7-6-16)8-13(12)21-15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyVSBHDTPIFLEPGY-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine (CID 71460938) is 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine is CNc1ccc(-c2nc3ccc(OCCF)cc3s2)cn1.
What is the InChIKey of 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
The InChIKey is VSBHDTPIFLEPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-17-14-5-2-10(9-18-14)15-19-12-4-3-11(20-7-6-16)8-13(12)21-15/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine has a molecular weight of 303.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 71460938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).