[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone

C17H23N3OS — CID 7288350

IUPAC[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESC/C=C\Cn1c(C(=O)N2CCN(CC)CC2)cc2ccsc21
InChIInChI=1S/C17H23N3OS/c1-3-5-7-20-15(13-14-6-12-22-17(14)20)16(21)19-10-8-18(4-2)9-11-19/h3,5-6,12-13H,4,7-11H2,1-2H3/b5-3-
InChIKeyFFQDBKGTLVCXIO-HYXAFXHYSA-N
MW317.46 g/mol
LogP3.06
Rot. Bonds4

About [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone

[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 7288350) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID7288350
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESC/C=C\Cn1c(C(=O)N2CCN(CC)CC2)cc2ccsc21
InChIInChI=1S/C17H23N3OS/c1-3-5-7-20-15(13-14-6-12-22-17(14)20)16(21)19-10-8-18(4-2)9-11-19/h3,5-6,12-13H,4,7-11H2,1-2H3/b5-3-
InChIKeyFFQDBKGTLVCXIO-HYXAFXHYSA-N
XLogP3.06
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-benzylpiperazin-4-ium-1-yl)-[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]methanone
CID 7328397
[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
CID 7350051
1-[4-[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrole-5-carbonyl]-2-methylpiperazin-1-yl]-2-chloropropan-1-one
CID 42797354
[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]methanone
CID 42797496
1-[(2S)-4-(6-ethylthieno[2,3-b]pyrrole-5-carbonyl)-2-methylpiperazin-1-yl]-2-phenoxyethanone
CID 7414908
1-[(2R)-4-(6-ethylthieno[2,3-b]pyrrole-5-carbonyl)-2-methylpiperazin-1-yl]-2-phenoxyethanone
CID 7414906
(4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
CID 7261312
[6-[(2-methoxyphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 7297153
[6-[(2-methylphenyl)methyl]thieno[2,3-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 7226748
ethyl 4-[4-[(Z)-but-2-enyl]furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 42790807
(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76867455
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101

Frequently Asked Questions

What is the IUPAC name of [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 7288350) is [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone is C/C=C\Cn1c(C(=O)N2CCN(CC)CC2)cc2ccsc21.
What is the InChIKey of [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FFQDBKGTLVCXIO-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-5-7-20-15(13-14-6-12-22-17(14)20)16(21)19-10-8-18(4-2)9-11-19/h3,5-6,12-13H,4,7-11H2,1-2H3/b5-3-.
What are the key properties of [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 317.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(Z)-but-2-enyl]thieno[2,3-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 7288350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).