ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate

C13H10N2O2S3 — CID 66647225

IUPACethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C13H10N2O2S3/c1-2-17-13(16)12-15-14-11(20-12)10-6-5-9(19-10)8-4-3-7-18-8/h3-7H,2H2,1H3
InChIKeyJCBCJLCVHYHPEI-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.17
Rot. Bonds4

About ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate

ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate (PubChem CID 66647225) has the molecular formula C13H10N2O2S3 and a molecular weight of 322.44 g/mol. Its IUPAC name is ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
PubChem CID66647225
Molecular FormulaC13H10N2O2S3
Molecular Weight322.44 g/mol
Exact Mass321.99
IUPAC Nameethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C13H10N2O2S3/c1-2-17-13(16)12-15-14-11(20-12)10-6-5-9(19-10)8-4-3-7-18-8/h3-7H,2H2,1H3
InChIKeyJCBCJLCVHYHPEI-UHFFFAOYSA-N
XLogP4.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate 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

ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 58814529
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
ethyl 5-(thiophen-2-ylmethoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80605668
ethyl (2S)-3-hydroxy-2-[[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]amino]propanoate
CID 21138918
ethyl 5-(3-fluoro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxylate
CID 140916991
ethyl 5-(2-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate
CID 66942453
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
CID 146082356
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
ethyl 5-(2-aminocyclohexa-1,5-dien-1-yl)-1,3,4-thiadiazole-2-carboxylate
CID 71010919

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate (CID 66647225) is ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is JCBCJLCVHYHPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S3/c1-2-17-13(16)12-15-14-11(20-12)10-6-5-9(19-10)8-4-3-7-18-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate?
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 322.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 66647225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).