2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine

C15H21N3S2 — CID 65041526

IUPAC2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCc1nc(SCCNCCc2ccsc2)nc(C)c1C
InChIInChI=1S/C15H21N3S2/c1-11-12(2)17-15(18-13(11)3)20-9-7-16-6-4-14-5-8-19-10-14/h5,8,10,16H,4,6-7,9H2,1-3H3
InChIKeyFMWPUCROXQWALS-UHFFFAOYSA-N
MW307.49 g/mol
LogP3.39
Rot. Bonds7

About 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine

2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine (PubChem CID 65041526) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
PubChem CID65041526
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCc1nc(SCCNCCc2ccsc2)nc(C)c1C
InChIInChI=1S/C15H21N3S2/c1-11-12(2)17-15(18-13(11)3)20-9-7-16-6-4-14-5-8-19-10-14/h5,8,10,16H,4,6-7,9H2,1-3H3
InChIKeyFMWPUCROXQWALS-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]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

N-[2-(4-tert-butylphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 63515463
N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
CID 107757303
N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 62582791
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62567147
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethyl]-2-thiophen-3-ylethanamine
CID 62576481
4-methyl-1-[2-(2-thiophen-3-ylethylamino)ethyl]pyrimidin-2-one
CID 114217450
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-3-ylethanamine
CID 80689611
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The IUPAC name of 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine (CID 65041526) is 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine.
What is the SMILES notation for 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The canonical SMILES for 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine is Cc1nc(SCCNCCc2ccsc2)nc(C)c1C.
What is the InChIKey of 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The InChIKey is FMWPUCROXQWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-11-12(2)17-15(18-13(11)3)20-9-7-16-6-4-14-5-8-19-10-14/h5,8,10,16H,4,6-7,9H2,1-3H3.
What are the key properties of 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine has a molecular weight of 307.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine is sourced from PubChem (CID 65041526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).