1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

C14H16N4S — CID 105002034

IUPAC1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCn1ncnc1CC(N)c1cc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-2-18-14(16-9-17-18)8-11(15)13-7-10-5-3-4-6-12(10)19-13/h3-7,9,11H,2,8,15H2,1H3
InChIKeyBFSRFUMSPWLQMN-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.76
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105002034) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105002034
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCn1ncnc1CC(N)c1cc2ccccc2s1
InChIInChI=1S/C14H16N4S/c1-2-18-14(16-9-17-18)8-11(15)13-7-10-5-3-4-6-12(10)19-13/h3-7,9,11H,2,8,15H2,1H3
InChIKeyBFSRFUMSPWLQMN-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003090
1-(1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814230
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine
CID 105161829
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105000137
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
1-(3,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001811
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(4-tert-butylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002222
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine
CID 105002287

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (CID 105002034) is 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is CCn1ncnc1CC(N)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is BFSRFUMSPWLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-18-14(16-9-17-18)8-11(15)13-7-10-5-3-4-6-12(10)19-13/h3-7,9,11H,2,8,15H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 272.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105002034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).