[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate

C17H14O2S3 — CID 86183810

IUPAC[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C17H14O2S3/c1-11(2)17(18)19-10-12-5-6-15(21-12)16-8-7-14(22-16)13-4-3-9-20-13/h3-9H,1,10H2,2H3
InChIKeyFHQYISYTSDCYSP-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.82
Rot. Bonds5

About [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate

[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 86183810) has the molecular formula C17H14O2S3 and a molecular weight of 346.50 g/mol. Its IUPAC name is [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate
PubChem CID86183810
Molecular FormulaC17H14O2S3
Molecular Weight346.50 g/mol
Exact Mass346.02
IUPAC Name[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C17H14O2S3/c1-11(2)17(18)19-10-12-5-6-15(21-12)16-8-7-14(22-16)13-4-3-9-20-13/h3-9H,1,10H2,2H3
InChIKeyFHQYISYTSDCYSP-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 3-methylbut-2-enoate
CID 10247992
4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
CID 70912798
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
2-thiophen-2-ylbutyl 2-methylprop-2-enoate
CID 56999397
2-(2-methylprop-2-enoyloxy)ethyl 5-[5-[5-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate;2-(2-methylprop-2-enoyloxy)ethyl thiophene-2-carboxylate;thiophene;trichloroiron
CID 160861948
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propan-2-amine
CID 170890943
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine
CID 170888631
2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
CID 20673042

Frequently Asked Questions

What is the IUPAC name of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate (CID 86183810) is [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is FHQYISYTSDCYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S3/c1-11(2)17(18)19-10-12-5-6-15(21-12)16-8-7-14(22-16)13-4-3-9-20-13/h3-9H,1,10H2,2H3.
What are the key properties of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate?
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 346.50 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 86183810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).