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

C13H17N3OS — CID 11630326

IUPAC(4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12
InChIInChI=1S/C13H17N3OS/c1-9-8-18-11-7-10(14-12(9)11)13(17)16-5-3-15(2)4-6-16/h7-8,14H,3-6H2,1-2H3
InChIKeyNJQMKHLCYSDMSY-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.93
Rot. Bonds1

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

(4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 11630326) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID11630326
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12
InChIInChI=1S/C13H17N3OS/c1-9-8-18-11-7-10(14-12(9)11)13(17)16-5-3-15(2)4-6-16/h7-8,14H,3-6H2,1-2H3
InChIKeyNJQMKHLCYSDMSY-UHFFFAOYSA-N
XLogP1.93
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.93
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)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone (CID 11630326) is (4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone is Cc1csc2cc(C(=O)N3CCN(C)CC3)[nH]c12.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is NJQMKHLCYSDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-8-18-11-7-10(14-12(9)11)13(17)16-5-3-15(2)4-6-16/h7-8,14H,3-6H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 263.37 g/mol, XLogP of 1.93, 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)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 11630326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).