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

C15H12ClFN2S — CID 79525971

IUPAC6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2S/c1-9(10-2-5-12(17)6-3-10)18-15-19-13-7-4-11(16)8-14(13)20-15/h2-9H,1H3,(H,18,19)
InChIKeyJIEPISBRXCDFKU-UHFFFAOYSA-N
MW306.79 g/mol
LogP5.26
Rot. Bonds3

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

6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 79525971) has the molecular formula C15H12ClFN2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID79525971
Molecular FormulaC15H12ClFN2S
Molecular Weight306.79 g/mol
Exact Mass306.04
IUPAC Name6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2S/c1-9(10-2-5-12(17)6-3-10)18-15-19-13-7-4-11(16)8-14(13)20-15/h2-9H,1H3,(H,18,19)
InChIKeyJIEPISBRXCDFKU-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.79
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 42645370
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
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
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79525887
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine (CID 79525971) is 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine is CC(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is JIEPISBRXCDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2S/c1-9(10-2-5-12(17)6-3-10)18-15-19-13-7-4-11(16)8-14(13)20-15/h2-9H,1H3,(H,18,19).
What are the key properties of 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 306.79 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).