2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine

C10H11FN2OS — CID 150269948

IUPAC2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine
SMILESNCCSc1noc2cccc(CF)c12
InChIInChI=1S/C10H11FN2OS/c11-6-7-2-1-3-8-9(7)10(13-14-8)15-5-4-12/h1-3H,4-6,12H2
InChIKeyGDIWDMZAESNBAM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.35
Rot. Bonds4

About 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine

2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine (PubChem CID 150269948) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine
PubChem CID150269948
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine
SMILESNCCSc1noc2cccc(CF)c12
InChIInChI=1S/C10H11FN2OS/c11-6-7-2-1-3-8-9(7)10(13-14-8)15-5-4-12/h1-3H,4-6,12H2
InChIKeyGDIWDMZAESNBAM-UHFFFAOYSA-N
XLogP2.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-1,2-benzoxazol-3-amine
CID 21061737
4-(Trifluoromethyl)benzo[d]isoxazol-3-amine
CID 10774457
3-(2-(N-t-butoxycarbonylamino)ethylthio)-5-fluoro-1,2-benzisoxazole
CID 15453974
2-[(5-Fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
CID 15871138
2-[(4-Fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
CID 18696051
2-[1,2-Benzoxazol-3-yl(fluoro)methyl]sulfanylethanamine
CID 18696109
3-(2-Aminoethylsulfanyl)-5-fluoro-1,2-benzoxazole-4-carbonitrile
CID 18696139
2-[(5-Fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine
CID 18696153
5-Fluoro-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]-1,2-benzoxazole-4-carboxylic acid
CID 18696157
tert-butyl N-[2-[(5-fluoro-4-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate
CID 18696201
2-[1,2-Benzoxazol-3-ylsulfanyl(fluoro)methoxy]ethanamine
CID 18696230
tert-butyl N-[2-[(4-carbamoyl-5-fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate
CID 18696247

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine?
The IUPAC name of 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine (CID 150269948) is 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine.
What is the SMILES notation for 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine?
The canonical SMILES for 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine is NCCSc1noc2cccc(CF)c12.
What is the InChIKey of 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine?
The InChIKey is GDIWDMZAESNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c11-6-7-2-1-3-8-9(7)10(13-14-8)15-5-4-12/h1-3H,4-6,12H2.
What are the key properties of 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine?
2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine has a molecular weight of 226.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(fluoromethyl)-1,2-benzoxazol-3-yl]sulfanyl]ethanamine is sourced from PubChem (CID 150269948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).