(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone

C13H18Cl2N2OS — CID 107963586

IUPAC(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Cl)sc2Cl)C(CC)CN1
InChIInChI=1S/C13H18Cl2N2OS/c1-3-8-7-17(9(4-2)6-16-8)13(18)10-5-11(14)19-12(10)15/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyRPKSYSUMDIZLKC-UHFFFAOYSA-N
MW321.27 g/mol
LogP3.66
Rot. Bonds3

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

(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone (PubChem CID 107963586) has the molecular formula C13H18Cl2N2OS and a molecular weight of 321.27 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone
PubChem CID107963586
Molecular FormulaC13H18Cl2N2OS
Molecular Weight321.27 g/mol
Exact Mass320.05
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone
SMILESCCC1CN(C(=O)c2cc(Cl)sc2Cl)C(CC)CN1
InChIInChI=1S/C13H18Cl2N2OS/c1-3-8-7-17(9(4-2)6-16-8)13(18)10-5-11(14)19-12(10)15/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyRPKSYSUMDIZLKC-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955
(5-bromothiophen-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978281
(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 64977938
(3-bromo-4-chlorophenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107990467
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
(2,5-diethylpiperazin-1-yl)-(3,4-dimethylphenyl)methanone
CID 64978469
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 64978414
(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 64977785
(4-bromo-1-methylpyrrol-2-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 64978537
(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
CID 64978238
(2,5-diethylpiperazin-1-yl)-(5-nitrothiophen-3-yl)methanone
CID 64978377
(2,5-diethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120832

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone (CID 107963586) is (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone is CCC1CN(C(=O)c2cc(Cl)sc2Cl)C(CC)CN1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone?
The InChIKey is RPKSYSUMDIZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2OS/c1-3-8-7-17(9(4-2)6-16-8)13(18)10-5-11(14)19-12(10)15/h5,8-9,16H,3-4,6-7H2,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone has a molecular weight of 321.27 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone is sourced from PubChem (CID 107963586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).