6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine

C14H10BrFN2S — CID 79533816

IUPAC6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
SMILESFc1cccc(CNc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C14H10BrFN2S/c15-10-4-5-12-13(7-10)19-14(18-12)17-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18)
InChIKeyBOGDNPHZBIBNSV-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.81
Rot. Bonds3

About 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine

6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79533816) has the molecular formula C14H10BrFN2S and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79533816
Molecular FormulaC14H10BrFN2S
Molecular Weight337.22 g/mol
Exact Mass335.97
IUPAC Name6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
SMILESFc1cccc(CNc2nc3ccc(Br)cc3s2)c1
InChIInChI=1S/C14H10BrFN2S/c15-10-4-5-12-13(7-10)19-14(18-12)17-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18)
InChIKeyBOGDNPHZBIBNSV-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

N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
6-bromo-N-[(2,4-difluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79527745
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
6-[3-(aminomethyl)-4-pyridinyl]-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 87645912
6-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79528435
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 79528692
N-(6-benzyl-2-fluoropyrimidin-4-yl)-6-bromo-1,3-benzothiazol-2-amine
CID 87070718
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
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine (CID 79533816) is 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine is Fc1cccc(CNc2nc3ccc(Br)cc3s2)c1.
What is the InChIKey of 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is BOGDNPHZBIBNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2S/c15-10-4-5-12-13(7-10)19-14(18-12)17-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,17,18).
What are the key properties of 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine?
6-bromo-N-[(3-fluorophenyl)methyl]-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 6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79533816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).