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

C14H15FN4S — CID 107063919

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H15FN4S/c1-16-12(7-11-8-19(2)18-17-11)14-5-9-3-4-10(15)6-13(9)20-14/h3-6,8,12,16H,7H2,1-2H3
InChIKeyIPCCUMBDMWMBGE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.67
Rot. Bonds4

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

1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107063919) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107063919
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H15FN4S/c1-16-12(7-11-8-19(2)18-17-11)14-5-9-3-4-10(15)6-13(9)20-14/h3-6,8,12,16H,7H2,1-2H3
InChIKeyIPCCUMBDMWMBGE-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

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

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

Launch Full Analysis

Related Compounds

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
1-[2-(4-Butyltriazol-1-yl)-2-dibenzothiophen-2-yl-ethyl]piperidine
CID 127048167
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
1-[2-(4-Butyltriazol-1-yl)-2-dibenzothiophen-2-yl-ethyl]piperazine
CID 127051307
trans-(1R,2S)-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
CID 177648581
N-({1-[1-(1-benzothien-2-ylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)urea
CID 31075508
2-(1-benzothiophen-2-yl)-N-[(1-propan-2-yltriazol-4-yl)methyl]acetamide
CID 138005122

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107063919) is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is IPCCUMBDMWMBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-16-12(7-11-8-19(2)18-17-11)14-5-9-3-4-10(15)6-13(9)20-14/h3-6,8,12,16H,7H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(6-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-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107063919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).