1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine

C12H15NS2 — CID 115861149

IUPAC1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1ccc(C(N)CCc2cccs2)s1
InChIInChI=1S/C12H15NS2/c1-9-4-7-12(15-9)11(13)6-5-10-3-2-8-14-10/h2-4,7-8,11H,5-6,13H2,1H3
InChIKeyPGSOHFJFXBYJHU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.75
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine

1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861149) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115861149
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC Name1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1ccc(C(N)CCc2cccs2)s1
InChIInChI=1S/C12H15NS2/c1-9-4-7-12(15-9)11(13)6-5-10-3-2-8-14-10/h2-4,7-8,11H,5-6,13H2,1H3
InChIKeyPGSOHFJFXBYJHU-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861110
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115860911
1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 63840233
1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860775
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310
1-methylsulfonyl-4-thiophen-2-ylbutan-2-amine
CID 115618327
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
2-methyl-5-(thiophen-2-ylmethyl)thiophene
CID 15537513

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine (CID 115861149) is 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine is Cc1ccc(C(N)CCc2cccs2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is PGSOHFJFXBYJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2/c1-9-4-7-12(15-9)11(13)6-5-10-3-2-8-14-10/h2-4,7-8,11H,5-6,13H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).