(6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine

C14H15FN4S — CID 105038689

IUPAC(6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H15FN4S/c1-2-5-19-11(8-17-18-19)14(16)13-6-9-3-4-10(15)7-12(9)20-13/h3-4,6-8,14H,2,5,16H2,1H3
InChIKeyLCYFLZOJYVEMJO-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.09
Rot. Bonds4

About (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine

(6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038689) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine
PubChem CID105038689
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name(6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H15FN4S/c1-2-5-19-11(8-17-18-19)14(16)13-6-9-3-4-10(15)7-12(9)20-13/h3-4,6-8,14H,2,5,16H2,1H3
InChIKeyLCYFLZOJYVEMJO-UHFFFAOYSA-N
XLogP3.09
TPSA56.73 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine (CID 105038689) is (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is LCYFLZOJYVEMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-2-5-19-11(8-17-18-19)14(16)13-6-9-3-4-10(15)7-12(9)20-13/h3-4,6-8,14H,2,5,16H2,1H3.
What are the key properties of (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine?
(6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 290.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzothiophen-2-yl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).