N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine

C13H8ClFN2S — CID 28832810

IUPACN-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1c(Cl)cccc1Nc1nc2ccccc2s1
InChIInChI=1S/C13H8ClFN2S/c14-8-4-3-6-10(12(8)15)17-13-16-9-5-1-2-7-11(9)18-13/h1-7H,(H,16,17)
InChIKeyRMFVOEXLDIWALB-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.83
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine

N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 28832810) has the molecular formula C13H8ClFN2S and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
PubChem CID28832810
Molecular FormulaC13H8ClFN2S
Molecular Weight278.74 g/mol
Exact Mass278.01
IUPAC NameN-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1c(Cl)cccc1Nc1nc2ccccc2s1
InChIInChI=1S/C13H8ClFN2S/c14-8-4-3-6-10(12(8)15)17-13-16-9-5-1-2-7-11(9)18-13/h1-7H,(H,16,17)
InChIKeyRMFVOEXLDIWALB-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine (CID 28832810) is N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine is Fc1c(Cl)cccc1Nc1nc2ccccc2s1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is RMFVOEXLDIWALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2S/c14-8-4-3-6-10(12(8)15)17-13-16-9-5-1-2-7-11(9)18-13/h1-7H,(H,16,17).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine?
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 278.74 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 28832810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).