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

C15H11ClF2N2S — CID 42645370

IUPAC5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESC[C@@H](Nc1nc2cc(Cl)c(F)cc2s1)c1ccc(F)cc1
InChIInChI=1S/C15H11ClF2N2S/c1-8(9-2-4-10(17)5-3-9)19-15-20-13-6-11(16)12(18)7-14(13)21-15/h2-8H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyGYQUPUKKYCOTQT-MRVPVSSYSA-N
MW324.78 g/mol
LogP5.40
Rot. Bonds3

About 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine

5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 42645370) has the molecular formula C15H11ClF2N2S and a molecular weight of 324.78 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID42645370
Molecular FormulaC15H11ClF2N2S
Molecular Weight324.78 g/mol
Exact Mass324.03
IUPAC Name5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESC[C@@H](Nc1nc2cc(Cl)c(F)cc2s1)c1ccc(F)cc1
InChIInChI=1S/C15H11ClF2N2S/c1-8(9-2-4-10(17)5-3-9)19-15-20-13-6-11(16)12(18)7-14(13)21-15/h2-8H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyGYQUPUKKYCOTQT-MRVPVSSYSA-N
XLogP5.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.78
LogP ≤ 55.40
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]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 63544982
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43306407
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
5-bromo-N-[1-(4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624917
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine (CID 42645370) is 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine is C[C@@H](Nc1nc2cc(Cl)c(F)cc2s1)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is GYQUPUKKYCOTQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H11ClF2N2S/c1-8(9-2-4-10(17)5-3-9)19-15-20-13-6-11(16)12(18)7-14(13)21-15/h2-8H,1H3,(H,19,20)/t8-/m1/s1.
What are the key properties of 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 324.78 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 42645370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).