ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate

C15H14N2O3S2 — CID 1255139

IUPACethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2nc(Nc3ccc(OC)cc3)sc2s1
InChIInChI=1S/C15H14N2O3S2/c1-3-20-13(18)12-8-11-14(21-12)22-15(17-11)16-9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyUDCFUICFYDLPDA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.29
Rot. Bonds5

About ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate

ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate (PubChem CID 1255139) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate
PubChem CID1255139
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Nameethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2nc(Nc3ccc(OC)cc3)sc2s1
InChIInChI=1S/C15H14N2O3S2/c1-3-20-13(18)12-8-11-14(21-12)22-15(17-11)16-9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyUDCFUICFYDLPDA-UHFFFAOYSA-N
XLogP4.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate (CID 1255139) is ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1cc2nc(Nc3ccc(OC)cc3)sc2s1.
What is the InChIKey of ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate?
The InChIKey is UDCFUICFYDLPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-3-20-13(18)12-8-11-14(21-12)22-15(17-11)16-9-4-6-10(19-2)7-5-9/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate?
ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyanilino)thieno[3,2-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 1255139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).