5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine

C13H17FN2OS — CID 65048266

IUPAC5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
SMILESCOCC(Nc1nc2cc(F)ccc2s1)C(C)C
InChIInChI=1S/C13H17FN2OS/c1-8(2)11(7-17-3)16-13-15-10-6-9(14)4-5-12(10)18-13/h4-6,8,11H,7H2,1-3H3,(H,15,16)
InChIKeyUWWNYOMAALMMCO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.52
Rot. Bonds5

About 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine

5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 65048266) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID65048266
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
SMILESCOCC(Nc1nc2cc(F)ccc2s1)C(C)C
InChIInChI=1S/C13H17FN2OS/c1-8(2)11(7-17-3)16-13-15-10-6-9(14)4-5-12(10)18-13/h4-6,8,11H,7H2,1-3H3,(H,15,16)
InChIKeyUWWNYOMAALMMCO-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine (CID 65048266) is 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine is COCC(Nc1nc2cc(F)ccc2s1)C(C)C.
What is the InChIKey of 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is UWWNYOMAALMMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-8(2)11(7-17-3)16-13-15-10-6-9(14)4-5-12(10)18-13/h4-6,8,11H,7H2,1-3H3,(H,15,16).
What are the key properties of 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 268.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65048266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).