N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

C15H17FN4S — CID 107064010

IUPACN-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17FN4S/c1-3-17-13(8-12-9-20(2)19-18-12)15-6-10-4-5-11(16)7-14(10)21-15/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyUFFXHERIAMJLCM-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.06
Rot. Bonds5

About N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107064010) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107064010
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC NameN-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17FN4S/c1-3-17-13(8-12-9-20(2)19-18-12)15-6-10-4-5-11(16)7-14(10)21-15/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyUFFXHERIAMJLCM-UHFFFAOYSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Dibenzothiophen-2-ylethyl)-4-phenyl-triazole
CID 57414670
1-(1-Dibenzothiophen-2-ylethyl)-4-propyl-triazole
CID 57414671
4-Butyl-1-(1-dibenzothiophen-2-ylethyl)triazole
CID 57414672
1-(1-Dibenzothiophen-2-ylethyl)-4-hexyl-triazole
CID 57414673
1-(1-Dibenzothiophen-2-ylethyl)-4-phenethyl-triazole
CID 57414799
1-(1-Dibenzothiophen-2-ylethyl)-4-(2,5-difluorophenyl)triazole
CID 57415150
2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide
CID 90666542
2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-hexylacetamide
CID 90666543
1-[2-(4-Butyltriazol-1-yl)-2-dibenzothiophen-2-yl-ethyl]piperidine
CID 127048167
4-[2-(4-Butyltriazol-1-yl)-2-dibenzothiophen-2-yl-ethyl]thiomorpholine
CID 127050153
1-[2-Dibenzothiophen-2-yl-2-(4-phenyltriazol-1-yl)ethyl]piperazine
CID 127050154
1-[2-Dibenzothiophen-2-yl-2-[4-(p-tolyl)triazol-1-yl]ethyl]piperazine
CID 127050448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107064010) is N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is CCNC(Cc1cn(C)nn1)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is UFFXHERIAMJLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c1-3-17-13(8-12-9-20(2)19-18-12)15-6-10-4-5-11(16)7-14(10)21-15/h4-7,9,13,17H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 304.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107064010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).