6-fluoro-3-methyl-1,3-benzothiazol-2-imine

C8H7FN2S — CID 2049829

IUPAC6-fluoro-3-methyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2cc(F)ccc2n1C
InChIInChI=1S/C8H7FN2S/c1-11-6-3-2-5(9)4-7(6)12-8(11)10/h2-4,10H,1H3/b10-8-
InChIKeyUQYULENSGICZFQ-NTMALXAHSA-N
MW182.22 g/mol
LogP1.86
Rot. Bonds

About 6-fluoro-3-methyl-1,3-benzothiazol-2-imine

6-fluoro-3-methyl-1,3-benzothiazol-2-imine (PubChem CID 2049829) has the molecular formula C8H7FN2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-fluoro-3-methyl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name6-fluoro-3-methyl-1,3-benzothiazol-2-imine
PubChem CID2049829
Molecular FormulaC8H7FN2S
Molecular Weight182.22 g/mol
Exact Mass182.03
IUPAC Name6-fluoro-3-methyl-1,3-benzothiazol-2-imine
SMILES[H]/N=c1\sc2cc(F)ccc2n1C
InChIInChI=1S/C8H7FN2S/c1-11-6-3-2-5(9)4-7(6)12-8(11)10/h2-4,10H,1H3/b10-8-
InChIKeyUQYULENSGICZFQ-NTMALXAHSA-N
XLogP1.86
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-1,3-benzothiazol-2-imine?
The IUPAC name of 6-fluoro-3-methyl-1,3-benzothiazol-2-imine (CID 2049829) is 6-fluoro-3-methyl-1,3-benzothiazol-2-imine.
What is the SMILES notation for 6-fluoro-3-methyl-1,3-benzothiazol-2-imine?
The canonical SMILES for 6-fluoro-3-methyl-1,3-benzothiazol-2-imine is [H]/N=c1\sc2cc(F)ccc2n1C.
What is the InChIKey of 6-fluoro-3-methyl-1,3-benzothiazol-2-imine?
The InChIKey is UQYULENSGICZFQ-NTMALXAHSA-N. The full InChI is InChI=1S/C8H7FN2S/c1-11-6-3-2-5(9)4-7(6)12-8(11)10/h2-4,10H,1H3/b10-8-.
What are the key properties of 6-fluoro-3-methyl-1,3-benzothiazol-2-imine?
6-fluoro-3-methyl-1,3-benzothiazol-2-imine has a molecular weight of 182.22 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 2049829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).