2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine

C10H11FN2OS — CID 18696153

IUPAC2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
SMILESCc1c(F)ccc2onc(SCCN)c12
InChIInChI=1S/C10H11FN2OS/c1-6-7(11)2-3-8-9(6)10(13-14-8)15-5-4-12/h2-3H,4-5,12H2,1H3
InChIKeyMRHXWHMWRWBXPT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.33
Rot. Bonds3

About 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine

2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine (PubChem CID 18696153) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
PubChem CID18696153
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
SMILESCc1c(F)ccc2onc(SCCN)c12
InChIInChI=1S/C10H11FN2OS/c1-6-7(11)2-3-8-9(6)10(13-14-8)15-5-4-12/h2-3H,4-5,12H2,1H3
InChIKeyMRHXWHMWRWBXPT-UHFFFAOYSA-N
XLogP2.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine (CID 18696153) is 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine is Cc1c(F)ccc2onc(SCCN)c12.
What is the InChIKey of 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine?
The InChIKey is MRHXWHMWRWBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-6-7(11)2-3-8-9(6)10(13-14-8)15-5-4-12/h2-3H,4-5,12H2,1H3.
What are the key properties of 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine?
2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine has a molecular weight of 226.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine is sourced from PubChem (CID 18696153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).