N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine

C16H14F2N2S — CID 43682628

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC(C)c3c(F)cccc3F)cc2s1
InChIInChI=1S/C16H14F2N2S/c1-9(16-12(17)4-3-5-13(16)18)19-11-6-7-14-15(8-11)21-10(2)20-14/h3-9,19H,1-2H3
InChIKeyZBGXWQZWFODPPH-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.06
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine

N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43682628) has the molecular formula C16H14F2N2S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43682628
Molecular FormulaC16H14F2N2S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC(C)c3c(F)cccc3F)cc2s1
InChIInChI=1S/C16H14F2N2S/c1-9(16-12(17)4-3-5-13(16)18)19-11-6-7-14-15(8-11)21-10(2)20-14/h3-9,19H,1-2H3
InChIKeyZBGXWQZWFODPPH-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 124735773
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
5-fluoro-2-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 63064121
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
CID 43687757
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
CID 79008754
N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (CID 43682628) is N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NC(C)c3c(F)cccc3F)cc2s1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is ZBGXWQZWFODPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2S/c1-9(16-12(17)4-3-5-13(16)18)19-11-6-7-14-15(8-11)21-10(2)20-14/h3-9,19H,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 304.37 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43682628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).