3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine

C12H9FN2OS — CID 63675433

IUPAC3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc3ccc(F)cc3o2)c(N)s1
InChIInChI=1S/C12H9FN2OS/c1-6-4-8(11(14)17-6)12-15-9-3-2-7(13)5-10(9)16-12/h2-5H,14H2,1H3
InChIKeyBIMARLZJNBANGO-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.59
Rot. Bonds1

About 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine

3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine (PubChem CID 63675433) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
PubChem CID63675433
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
SMILESCc1cc(-c2nc3ccc(F)cc3o2)c(N)s1
InChIInChI=1S/C12H9FN2OS/c1-6-4-8(11(14)17-6)12-15-9-3-2-7(13)5-10(9)16-12/h2-5H,14H2,1H3
InChIKeyBIMARLZJNBANGO-UHFFFAOYSA-N
XLogP3.59
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
The IUPAC name of 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine (CID 63675433) is 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine.
What is the SMILES notation for 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
The canonical SMILES for 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine is Cc1cc(-c2nc3ccc(F)cc3o2)c(N)s1.
What is the InChIKey of 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
The InChIKey is BIMARLZJNBANGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c1-6-4-8(11(14)17-6)12-15-9-3-2-7(13)5-10(9)16-12/h2-5H,14H2,1H3.
What are the key properties of 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine?
3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine has a molecular weight of 248.28 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine is sourced from PubChem (CID 63675433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).