N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine

C14H11FN2S — CID 78908944

IUPACN-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3ccc(F)cc3)nc12
InChIInChI=1S/C14H11FN2S/c1-9-3-2-4-12-13(9)17-14(18-12)16-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,17)
InChIKeyONBOVTGRTFZTQY-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.49
Rot. Bonds2

About N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine

N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 78908944) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID78908944
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC NameN-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3ccc(F)cc3)nc12
InChIInChI=1S/C14H11FN2S/c1-9-3-2-4-12-13(9)17-14(18-12)16-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,17)
InChIKeyONBOVTGRTFZTQY-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(2,6-dibromo-4-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146492
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone
CID 87369727
N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146772
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 78908729
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
6-N-(4-ethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22544353
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673
2-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)guanidine
CID 45077657
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine (CID 78908944) is N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(Nc3ccc(F)cc3)nc12.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ONBOVTGRTFZTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-9-3-2-4-12-13(9)17-14(18-12)16-11-7-5-10(15)6-8-11/h2-8H,1H3,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 258.32 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).