tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate

C12H15NO2S — CID 10657522

IUPACtert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate
SMILESCc1cn(C(=O)OC(C)(C)C)c2ccsc12
InChIInChI=1S/C12H15NO2S/c1-8-7-13(9-5-6-16-10(8)9)11(14)15-12(2,3)4/h5-7H,1-4H3
InChIKeyMMEHYTZOLUVGBV-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.79
Rot. Bonds

About tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate

tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate (PubChem CID 10657522) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate
PubChem CID10657522
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Nametert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate
SMILESCc1cn(C(=O)OC(C)(C)C)c2ccsc12
InChIInChI=1S/C12H15NO2S/c1-8-7-13(9-5-6-16-10(8)9)11(14)15-12(2,3)4/h5-7H,1-4H3
InChIKeyMMEHYTZOLUVGBV-UHFFFAOYSA-N
XLogP3.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate (CID 10657522) is tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate is Cc1cn(C(=O)OC(C)(C)C)c2ccsc12.
What is the InChIKey of tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate?
The InChIKey is MMEHYTZOLUVGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-7-13(9-5-6-16-10(8)9)11(14)15-12(2,3)4/h5-7H,1-4H3.
What are the key properties of tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate?
tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate has a molecular weight of 237.32 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methylthieno[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 10657522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).