1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

C15H18N4S — CID 106282077

IUPAC1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2ncn[nH]2)sc2ccccc12
InChIInChI=1S/C15H18N4S/c1-9-12-6-4-5-7-13(12)20-14(9)10(2)18-11(3)15-16-8-17-19-15/h4-8,10-11,18H,1-3H3,(H,16,17,19)
InChIKeySTMFADMRFGMPNK-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 106282077) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID106282077
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2ncn[nH]2)sc2ccccc12
InChIInChI=1S/C15H18N4S/c1-9-12-6-4-5-7-13(12)20-14(9)10(2)18-11(3)15-16-8-17-19-15/h4-8,10-11,18H,1-3H3,(H,16,17,19)
InChIKeySTMFADMRFGMPNK-UHFFFAOYSA-N
XLogP3.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]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

(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 81392899
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81391934
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]but-3-yn-2-amine
CID 114415554
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pent-4-yn-2-amine
CID 113477222
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hex-1-yn-3-amine
CID 106226743
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]phenol
CID 43790401
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 106282077) is 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is Cc1c(C(C)NC(C)c2ncn[nH]2)sc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is STMFADMRFGMPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-9-12-6-4-5-7-13(12)20-14(9)10(2)18-11(3)15-16-8-17-19-15/h4-8,10-11,18H,1-3H3,(H,16,17,19).
What are the key properties of 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 286.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106282077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).