N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine

C14H10BrFN2S — CID 79143800

IUPACN-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3cccc(Br)c3)sc2c1
InChIInChI=1S/C14H10BrFN2S/c15-10-3-1-2-9(6-10)8-17-14-18-12-5-4-11(16)7-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyUGPKNAVFJFEUTF-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.81
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine

N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79143800) has the molecular formula C14H10BrFN2S and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79143800
Molecular FormulaC14H10BrFN2S
Molecular Weight337.22 g/mol
Exact Mass335.97
IUPAC NameN-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3cccc(Br)c3)sc2c1
InChIInChI=1S/C14H10BrFN2S/c15-10-3-1-2-9(6-10)8-17-14-18-12-5-4-11(16)7-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyUGPKNAVFJFEUTF-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

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Related Compounds

6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79533816
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
6-bromo-N-[(2,4-difluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79527745
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 81177516
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
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-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143650
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143723
6-[3-(aminomethyl)-4-pyridinyl]-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 87645912
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine (CID 79143800) is N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCc3cccc(Br)c3)sc2c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is UGPKNAVFJFEUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2S/c15-10-3-1-2-9(6-10)8-17-14-18-12-5-4-11(16)7-13(12)19-14/h1-7H,8H2,(H,17,18).
What are the key properties of N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine?
N-[(3-bromophenyl)methyl]-6-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-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).