1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

C14H15FN4S — CID 107064466

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H15FN4S/c1-16-12(7-11-8-19(2)18-17-11)14-6-9-5-10(15)3-4-13(9)20-14/h3-6,8,12,16H,7H2,1-2H3
InChIKeyWKZDWOVHWUANDZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.67
Rot. Bonds4

About 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107064466) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107064466
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H15FN4S/c1-16-12(7-11-8-19(2)18-17-11)14-6-9-5-10(15)3-4-13(9)20-14/h3-6,8,12,16H,7H2,1-2H3
InChIKeyWKZDWOVHWUANDZ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107064466) is 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is WKZDWOVHWUANDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-16-12(7-11-8-19(2)18-17-11)14-6-9-5-10(15)3-4-13(9)20-14/h3-6,8,12,16H,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 290.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107064466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).