ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate

C14H11NO2S3 — CID 66644585

IUPACethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C14H11NO2S3/c1-2-17-14(16)12-8-15-13(20-12)11-6-5-10(19-11)9-4-3-7-18-9/h3-8H,2H2,1H3
InChIKeyKLPPUNXUCJNKAB-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.78
Rot. Bonds4

About ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate

ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 66644585) has the molecular formula C14H11NO2S3 and a molecular weight of 321.45 g/mol. Its IUPAC name is ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID66644585
Molecular FormulaC14H11NO2S3
Molecular Weight321.45 g/mol
Exact Mass321.00
IUPAC Nameethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C14H11NO2S3/c1-2-17-14(16)12-8-15-13(20-12)11-6-5-10(19-11)9-4-3-7-18-9/h3-8H,2H2,1H3
InChIKeyKLPPUNXUCJNKAB-UHFFFAOYSA-N
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225
2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 130667272
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate
CID 178134006
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl thiophene-2-carboxylate;2-phenylthiophene
CID 173392308
ethyl (2S)-3-hydroxy-2-[[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]amino]propanoate
CID 21138918
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethyl 2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 54007539
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate (CID 66644585) is ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is KLPPUNXUCJNKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S3/c1-2-17-14(16)12-8-15-13(20-12)11-6-5-10(19-11)9-4-3-7-18-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 321.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66644585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).