N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

C14H15FN4S — CID 105043735

IUPACN-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccc(F)cc2s1)c1cnnn1C
InChIInChI=1S/C14H15FN4S/c1-3-16-14(11-8-17-18-19(11)2)13-6-9-4-5-10(15)7-12(9)20-13/h4-8,14,16H,3H2,1-2H3
InChIKeyNUMNBBPQMLHVOY-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.87
Rot. Bonds4

About N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 105043735) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID105043735
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC NameN-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc2ccc(F)cc2s1)c1cnnn1C
InChIInChI=1S/C14H15FN4S/c1-3-16-14(11-8-17-18-19(11)2)13-6-9-4-5-10(15)7-12(9)20-13/h4-8,14,16H,3H2,1-2H3
InChIKeyNUMNBBPQMLHVOY-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 105043735) is N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cc2ccc(F)cc2s1)c1cnnn1C.
What is the InChIKey of N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is NUMNBBPQMLHVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-3-16-14(11-8-17-18-19(11)2)13-6-9-4-5-10(15)7-12(9)20-13/h4-8,14,16H,3H2,1-2H3.
What are the key properties of N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 290.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-benzothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105043735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).