ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate

C16H14FNO2S — CID 6487721

IUPACethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2S/c1-2-20-16(19)14-9-12-7-8-21-15(12)18(14)10-11-3-5-13(17)6-4-11/h3-9H,2,10H2,1H3
InChIKeyJTNHINGRABLEMZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.07
Rot. Bonds4

About ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate

ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 6487721) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID6487721
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Nameethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2ccsc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2S/c1-2-20-16(19)14-9-12-7-8-21-15(12)18(14)10-11-3-5-13(17)6-4-11/h3-9H,2,10H2,1H3
InChIKeyJTNHINGRABLEMZ-UHFFFAOYSA-N
XLogP4.07
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-ethylthieno[2,3-b]pyrrole-5-carboxylate
CID 118918143
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797272
ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
ethyl 6-[2-(4-chloroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004727
1-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7249390
ethyl 6-[2-(cyclopropylamino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032969
ethyl 5-fluoro-1-(1,3-thiazol-2-ylmethyl)indole-2-carboxylate
CID 15978861
6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 4131807
ethyl 6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53032978
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899
ethyl 6-[2-(3-chloroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024486

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 6487721) is ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2ccsc2n1Cc1ccc(F)cc1.
What is the InChIKey of ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is JTNHINGRABLEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-2-20-16(19)14-9-12-7-8-21-15(12)18(14)10-11-3-5-13(17)6-4-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6487721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).