N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine

C15H12BrClN2S — CID 79524862

IUPACN-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2S/c1-9(10-2-4-11(16)5-3-10)18-15-19-13-7-6-12(17)8-14(13)20-15/h2-9H,1H3,(H,18,19)
InChIKeyDRVNWFPPFKUAEP-UHFFFAOYSA-N
MW367.70 g/mol
LogP5.89
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine

N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine (PubChem CID 79524862) has the molecular formula C15H12BrClN2S and a molecular weight of 367.70 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
PubChem CID79524862
Molecular FormulaC15H12BrClN2S
Molecular Weight367.70 g/mol
Exact Mass365.96
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2S/c1-9(10-2-4-11(16)5-3-10)18-15-19-13-7-6-12(17)8-14(13)20-15/h2-9H,1H3,(H,18,19)
InChIKeyDRVNWFPPFKUAEP-UHFFFAOYSA-N
XLogP5.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.70
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821
5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 42645370
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79526067
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79525887

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine (CID 79524862) is N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine is CC(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine?
The InChIKey is DRVNWFPPFKUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2S/c1-9(10-2-4-11(16)5-3-10)18-15-19-13-7-6-12(17)8-14(13)20-15/h2-9H,1H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine?
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine has a molecular weight of 367.70 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79524862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).