N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine

C14H10BrFN2S — CID 79146772

IUPACN-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3cc(Br)ccc3F)nc12
InChIInChI=1S/C14H10BrFN2S/c1-8-3-2-4-12-13(8)18-14(19-12)17-11-7-9(15)5-6-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyZQZHPZWPOQNQCB-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.25
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine

N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 79146772) has the molecular formula C14H10BrFN2S and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID79146772
Molecular FormulaC14H10BrFN2S
Molecular Weight337.22 g/mol
Exact Mass335.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3cc(Br)ccc3F)nc12
InChIInChI=1S/C14H10BrFN2S/c1-8-3-2-4-12-13(8)18-14(19-12)17-11-7-9(15)5-6-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyZQZHPZWPOQNQCB-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146492
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 78908944
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 78908729
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 107607244
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine
CID 141408571
5-bromo-N-(2,6-difluoro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 82819807
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
N-(5-bromo-2-fluorophenyl)-6-fluoropyridin-2-amine
CID 61229571

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine (CID 79146772) is N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(Nc3cc(Br)ccc3F)nc12.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is ZQZHPZWPOQNQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2S/c1-8-3-2-4-12-13(8)18-14(19-12)17-11-7-9(15)5-6-10(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 337.22 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).