2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H12F2N2S — CID 62079496

IUPAC2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3c(F)cccc3F)sc21
InChIInChI=1S/C13H12F2N2S/c14-7-3-1-4-8(15)11(7)13-17-10-6-2-5-9(16)12(10)18-13/h1,3-4,9H,2,5-6,16H2
InChIKeyHRZRAESLLLTKHC-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.42
Rot. Bonds1

About 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62079496) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62079496
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3c(F)cccc3F)sc21
InChIInChI=1S/C13H12F2N2S/c14-7-3-1-4-8(15)11(7)13-17-10-6-2-5-9(16)12(10)18-13/h1,3-4,9H,2,5-6,16H2
InChIKeyHRZRAESLLLTKHC-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080443
2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080266
2-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 55032898
2-(2,6-difluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62079484
2-(3-bromo-5-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66424684
2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79233270
2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345083
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 84661798
2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 20982864
2-(2-chloro-6-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62501584
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62751052
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62985641

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62079496) is 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(-c3c(F)cccc3F)sc21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is HRZRAESLLLTKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c14-7-3-1-4-8(15)11(7)13-17-10-6-2-5-9(16)12(10)18-13/h1,3-4,9H,2,5-6,16H2.
What are the key properties of 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 266.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62079496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).