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

C14H9F3N2S — CID 103586604

IUPACN-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCc1cc(F)c(Nc2nc3cc(F)ccc3s2)cc1F
InChIInChI=1S/C14H9F3N2S/c1-7-4-10(17)11(6-9(7)16)18-14-19-12-5-8(15)2-3-13(12)20-14/h2-6H,1H3,(H,18,19)
InChIKeyMNKBKIYZWMJAFZ-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.77
Rot. Bonds2

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

N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 103586604) has the molecular formula C14H9F3N2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID103586604
Molecular FormulaC14H9F3N2S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCc1cc(F)c(Nc2nc3cc(F)ccc3s2)cc1F
InChIInChI=1S/C14H9F3N2S/c1-7-4-10(17)11(6-9(7)16)18-14-19-12-5-8(15)2-3-13(12)20-14/h2-6H,1H3,(H,18,19)
InChIKeyMNKBKIYZWMJAFZ-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306582
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306953

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine (CID 103586604) is N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine is Cc1cc(F)c(Nc2nc3cc(F)ccc3s2)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is MNKBKIYZWMJAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S/c1-7-4-10(17)11(6-9(7)16)18-14-19-12-5-8(15)2-3-13(12)20-14/h2-6H,1H3,(H,18,19).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 294.30 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103586604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).