[4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

C17H15F2N3OS — CID 166221952

IUPAC[4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESO=C(c1cc2sccc2[nH]1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H15F2N3OS/c18-11-1-2-12(19)15(9-11)21-4-6-22(7-5-21)17(23)14-10-16-13(20-14)3-8-24-16/h1-3,8-10,20H,4-7H2
InChIKeyRSCBAOUTVMNOIX-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.47
Rot. Bonds2

About [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

[4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 166221952) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID166221952
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC Name[4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESO=C(c1cc2sccc2[nH]1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H15F2N3OS/c18-11-1-2-12(19)15(9-11)21-4-6-22(7-5-21)17(23)14-10-16-13(20-14)3-8-24-16/h1-3,8-10,20H,4-7H2
InChIKeyRSCBAOUTVMNOIX-UHFFFAOYSA-N
XLogP3.47
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
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CID 133267483
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2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
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4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (CID 166221952) is [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is O=C(c1cc2sccc2[nH]1)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is RSCBAOUTVMNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c18-11-1-2-12(19)15(9-11)21-4-6-22(7-5-21)17(23)14-10-16-13(20-14)3-8-24-16/h1-3,8-10,20H,4-7H2.
What are the key properties of [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
[4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 347.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)piperazin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 166221952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).