(2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone

C11H14Cl2N2OS — CID 71877139

IUPAC(2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c1-7-6-14(2)3-4-15(7)11(16)8-5-9(12)17-10(8)13/h5,7H,3-4,6H2,1-2H3
InChIKeyZOPNXNSYNHRKHW-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.83
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone

(2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 71877139) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID71877139
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H14Cl2N2OS/c1-7-6-14(2)3-4-15(7)11(16)8-5-9(12)17-10(8)13/h5,7H,3-4,6H2,1-2H3
InChIKeyZOPNXNSYNHRKHW-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone (CID 71877139) is (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone is CC1CN(C)CCN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is ZOPNXNSYNHRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c1-7-6-14(2)3-4-15(7)11(16)8-5-9(12)17-10(8)13/h5,7H,3-4,6H2,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 293.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 71877139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).