N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine

C14H10F2N2S — CID 43307042

IUPACN-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3c(F)cccc3F)nc2c1
InChIInChI=1S/C14H10F2N2S/c1-8-5-6-12-11(7-8)17-14(19-12)18-13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,18)
InChIKeyVCFOTZAUPCESBZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.63
Rot. Bonds2

About N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine

N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 43307042) has the molecular formula C14H10F2N2S and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
PubChem CID43307042
Molecular FormulaC14H10F2N2S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC NameN-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3c(F)cccc3F)nc2c1
InChIInChI=1S/C14H10F2N2S/c1-8-5-6-12-11(7-8)17-14(19-12)18-13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,18)
InChIKeyVCFOTZAUPCESBZ-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 83079004
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
5-bromo-N-(2,6-difluoro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 82819807
N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 107368344
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
3-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 107107696
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine (CID 43307042) is N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine is Cc1ccc2sc(Nc3c(F)cccc3F)nc2c1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is VCFOTZAUPCESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2S/c1-8-5-6-12-11(7-8)17-14(19-12)18-13-9(15)3-2-4-10(13)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine has a molecular weight of 276.31 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43307042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).