1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

C15H17FN4S — CID 105003090

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17FN4S/c1-2-5-20-15(18-9-19-20)8-12(17)14-6-10-3-4-11(16)7-13(10)21-14/h3-4,6-7,9,12H,2,5,8,17H2,1H3
InChIKeyKAPFGHULQRAVRY-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.28
Rot. Bonds5

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine

1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105003090) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105003090
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCCn1ncnc1CC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17FN4S/c1-2-5-20-15(18-9-19-20)8-12(17)14-6-10-3-4-11(16)7-13(10)21-14/h3-4,6-7,9,12H,2,5,8,17H2,1H3
InChIKeyKAPFGHULQRAVRY-UHFFFAOYSA-N
XLogP3.28
TPSA56.73 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002034
1-(2-bromo-4-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003239
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
1-(2,5-dibromothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114022144
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058
1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(2-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003291
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105000137
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002208
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine (CID 105003090) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is CCCn1ncnc1CC(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is KAPFGHULQRAVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c1-2-5-20-15(18-9-19-20)8-12(17)14-6-10-3-4-11(16)7-13(10)21-14/h3-4,6-7,9,12H,2,5,8,17H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine?
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 304.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105003090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).