6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine

C11H8FN3OS — CID 162380380

IUPAC6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3cnco3)sc2c1
InChIInChI=1S/C11H8FN3OS/c12-7-1-2-9-10(3-7)17-11(15-9)14-5-8-4-13-6-16-8/h1-4,6H,5H2,(H,14,15)
InChIKeyBKTBGMPGUZKYCR-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.04
Rot. Bonds3

About 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine

6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 162380380) has the molecular formula C11H8FN3OS and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID162380380
Molecular FormulaC11H8FN3OS
Molecular Weight249.27 g/mol
Exact Mass249.04
IUPAC Name6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCc3cnco3)sc2c1
InChIInChI=1S/C11H8FN3OS/c12-7-1-2-9-10(3-7)17-11(15-9)14-5-8-4-13-6-16-8/h1-4,6H,5H2,(H,14,15)
InChIKeyBKTBGMPGUZKYCR-UHFFFAOYSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine (CID 162380380) is 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCc3cnco3)sc2c1.
What is the InChIKey of 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is BKTBGMPGUZKYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3OS/c12-7-1-2-9-10(3-7)17-11(15-9)14-5-8-4-13-6-16-8/h1-4,6H,5H2,(H,14,15).
What are the key properties of 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 249.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162380380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).