(2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C11H14Cl2N2O2S — CID 78823049

IUPAC(2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(CCO)CC1
InChIInChI=1S/C11H14Cl2N2O2S/c12-9-7-8(10(13)18-9)11(17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2
InChIKeySAHSEAFDXQVHJM-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.80
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 78823049) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID78823049
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC Name(2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(CCO)CC1
InChIInChI=1S/C11H14Cl2N2O2S/c12-9-7-8(10(13)18-9)11(17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2
InChIKeySAHSEAFDXQVHJM-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 44116488
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CID 103799640
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CID 60357312
CID 60357312
CID 103857559
CID 103857559
CID 107963451
CID 107963451
CID 71846986
CID 71846986
CID 95979713
CID 95979713
CID 5054311
CID 5054311
CID 17410514
CID 17410514
CID 25908949
CID 25908949

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 78823049) is (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cc(Cl)sc1Cl)N1CCN(CCO)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is SAHSEAFDXQVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c12-9-7-8(10(13)18-9)11(17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 309.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78823049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).