N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine

C13H7F3N2S — CID 43306893

IUPACN-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc(Nc2nc3cc(F)ccc3s2)c(F)c1
InChIInChI=1S/C13H7F3N2S/c14-7-1-3-10(9(16)5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18)
InChIKeyMCRHQQFUTCVUBE-UHFFFAOYSA-N
MW280.27 g/mol
LogP4.46
Rot. Bonds2

About N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine

N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 43306893) has the molecular formula C13H7F3N2S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID43306893
Molecular FormulaC13H7F3N2S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC NameN-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc(Nc2nc3cc(F)ccc3s2)c(F)c1
InChIInChI=1S/C13H7F3N2S/c14-7-1-3-10(9(16)5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18)
InChIKeyMCRHQQFUTCVUBE-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306582
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine (CID 43306893) is N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine is Fc1ccc(Nc2nc3cc(F)ccc3s2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is MCRHQQFUTCVUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2S/c14-7-1-3-10(9(16)5-7)17-13-18-11-6-8(15)2-4-12(11)19-13/h1-6H,(H,17,18).
What are the key properties of N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 280.27 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).