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

C11H6ClFN2OS — CID 82720653

IUPAC3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine
SMILESNc1sccc1-c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C11H6ClFN2OS/c12-6-3-8-9(4-7(6)13)16-11(15-8)5-1-2-17-10(5)14/h1-4H,14H2
InChIKeyGMSKJBRVHOUFOM-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.93
Rot. Bonds1

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

3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine (PubChem CID 82720653) has the molecular formula C11H6ClFN2OS and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine
PubChem CID82720653
Molecular FormulaC11H6ClFN2OS
Molecular Weight268.70 g/mol
Exact Mass267.99
IUPAC Name3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine
SMILESNc1sccc1-c1nc2cc(Cl)c(F)cc2o1
InChIInChI=1S/C11H6ClFN2OS/c12-6-3-8-9(4-7(6)13)16-11(15-8)5-1-2-17-10(5)14/h1-4H,14H2
InChIKeyGMSKJBRVHOUFOM-UHFFFAOYSA-N
XLogP3.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine?
The IUPAC name of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine (CID 82720653) is 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine.
What is the SMILES notation for 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine?
The canonical SMILES for 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine is Nc1sccc1-c1nc2cc(Cl)c(F)cc2o1.
What is the InChIKey of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine?
The InChIKey is GMSKJBRVHOUFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2OS/c12-6-3-8-9(4-7(6)13)16-11(15-8)5-1-2-17-10(5)14/h1-4H,14H2.
What are the key properties of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine?
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine has a molecular weight of 268.70 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)thiophen-2-amine is sourced from PubChem (CID 82720653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).