N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine

C16H15FN2OS — CID 79516719

IUPACN-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)c3cccc(F)c3)sc2c1
InChIInChI=1S/C16H15FN2OS/c1-10(11-4-3-5-12(17)8-11)18-16-19-14-7-6-13(20-2)9-15(14)21-16/h3-10H,1-2H3,(H,18,19)
InChIKeyVYDBSTVXUVJZDJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.62
Rot. Bonds4

About N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine

N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79516719) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79516719
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)c3cccc(F)c3)sc2c1
InChIInChI=1S/C16H15FN2OS/c1-10(11-4-3-5-12(17)8-11)18-16-19-14-7-6-13(20-2)9-15(14)21-16/h3-10H,1-2H3,(H,18,19)
InChIKeyVYDBSTVXUVJZDJ-UHFFFAOYSA-N
XLogP4.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79513905
[(4-fluorophenyl)-[(6-methoxy-1,3-benzothiazol-2-yl)amino]methoxy]-hydroxy-oxophosphanium
CID 122513378
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (CID 79516719) is N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NC(C)c3cccc(F)c3)sc2c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is VYDBSTVXUVJZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-10(11-4-3-5-12(17)8-11)18-16-19-14-7-6-13(20-2)9-15(14)21-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 302.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79516719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).