N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine

C14H10BrFN2S — CID 54937620

IUPACN-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NCc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H10BrFN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyPIBQATYTDHVEOO-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.81
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine

N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 54937620) has the molecular formula C14H10BrFN2S and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID54937620
Molecular FormulaC14H10BrFN2S
Molecular Weight337.22 g/mol
Exact Mass335.97
IUPAC NameN-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NCc3ccc(Br)cc3)nc2c1
InChIInChI=1S/C14H10BrFN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyPIBQATYTDHVEOO-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-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

Related Compounds

N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79533816
N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
6-bromo-N-[(2,4-difluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79527745
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 114186531
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106049307

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine (CID 54937620) is N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2sc(NCc3ccc(Br)cc3)nc2c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is PIBQATYTDHVEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 337.22 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 54937620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).