ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate

C9H10N2O2S — CID 22387955

IUPACethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(C)nc2s1
InChIInChI=1S/C9H10N2O2S/c1-3-13-9(12)7-4-6-8(14-7)11-5(2)10-6/h4H,3H2,1-2H3,(H,10,11)
InChIKeyCDAYSZATLUIXNG-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.11
Rot. Bonds2

About ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate

ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate (PubChem CID 22387955) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate
PubChem CID22387955
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Nameethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(C)nc2s1
InChIInChI=1S/C9H10N2O2S/c1-3-13-9(12)7-4-6-8(14-7)11-5(2)10-6/h4H,3H2,1-2H3,(H,10,11)
InChIKeyCDAYSZATLUIXNG-UHFFFAOYSA-N
XLogP2.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate (CID 22387955) is ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate is CCOC(=O)c1cc2[nH]c(C)nc2s1.
What is the InChIKey of ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate?
The InChIKey is CDAYSZATLUIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-13-9(12)7-4-6-8(14-7)11-5(2)10-6/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate?
ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate has a molecular weight of 210.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1H-thieno[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 22387955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).