1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine

C12H12N4S — CID 114419361

IUPAC1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C12H12N4S/c1-8(13)11-7-16(15-14-11)10-2-3-12-9(6-10)4-5-17-12/h2-8H,13H2,1H3
InChIKeyWESFEOLKGDCBJL-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.50
Rot. Bonds2

About 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine

1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine (PubChem CID 114419361) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
PubChem CID114419361
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2ccc3sccc3c2)nn1
InChIInChI=1S/C12H12N4S/c1-8(13)11-7-16(15-14-11)10-2-3-12-9(6-10)4-5-17-12/h2-8H,13H2,1H3
InChIKeyWESFEOLKGDCBJL-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-bromo-4-chlorophenyl)triazol-4-yl]ethanamine
CID 114419369
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]ethanamine
CID 114419292
2-amino-N-[[1-(1-benzothiophen-5-yl)triazol-4-yl]methyl]acetamide
CID 114778051
5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole
CID 168797809
(1R)-1-(1-benzothiophen-5-yl)ethanamine
CID 131094683
1-[1-(4-bromo-3,5-dimethylphenyl)triazol-4-yl]ethanamine
CID 107577951
1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine
CID 79508848
1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
CID 106227230
1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
CID 114419303
2-amino-2-[1-(2-methyl-1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
CID 167809428
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
4-(1-benzothiophen-5-yl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 65473939

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine (CID 114419361) is 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine is CC(N)c1cn(-c2ccc3sccc3c2)nn1.
What is the InChIKey of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine?
The InChIKey is WESFEOLKGDCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8(13)11-7-16(15-14-11)10-2-3-12-9(6-10)4-5-17-12/h2-8H,13H2,1H3.
What are the key properties of 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine?
1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine has a molecular weight of 244.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114419361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).