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

C12H15N3OS — CID 11615753

IUPAC(4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCN1CCN(C(=O)c2cc3sccc3[nH]2)CC1
InChIInChI=1S/C12H15N3OS/c1-14-3-5-15(6-4-14)12(16)10-8-11-9(13-10)2-7-17-11/h2,7-8,13H,3-6H2,1H3
InChIKeyCSKIZXZBVMAUCD-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.62
Rot. Bonds1

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

(4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 11615753) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID11615753
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCN1CCN(C(=O)c2cc3sccc3[nH]2)CC1
InChIInChI=1S/C12H15N3OS/c1-14-3-5-15(6-4-14)12(16)10-8-11-9(13-10)2-7-17-11/h2,7-8,13H,3-6H2,1H3
InChIKeyCSKIZXZBVMAUCD-UHFFFAOYSA-N
XLogP1.62
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (CID 11615753) is (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is CN1CCN(C(=O)c2cc3sccc3[nH]2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is CSKIZXZBVMAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-14-3-5-15(6-4-14)12(16)10-8-11-9(13-10)2-7-17-11/h2,7-8,13H,3-6H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 249.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 11615753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).