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

C14H10Cl4N2O2S2 — CID 5054311

IUPAC[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C14H10Cl4N2O2S2/c15-9-5-7(11(17)23-9)13(21)19-1-2-20(4-3-19)14(22)8-6-10(16)24-12(8)18/h5-6H,1-4H2
InChIKeyAOJVTPZTYPMSPK-UHFFFAOYSA-N
MW444.19 g/mol
LogP5.02
Rot. Bonds2

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

[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 5054311) has the molecular formula C14H10Cl4N2O2S2 and a molecular weight of 444.19 g/mol. Its IUPAC name is [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID5054311
Molecular FormulaC14H10Cl4N2O2S2
Molecular Weight444.19 g/mol
Exact Mass441.89
IUPAC Name[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C14H10Cl4N2O2S2/c15-9-5-7(11(17)23-9)13(21)19-1-2-20(4-3-19)14(22)8-6-10(16)24-12(8)18/h5-6H,1-4H2
InChIKeyAOJVTPZTYPMSPK-UHFFFAOYSA-N
XLogP5.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.19
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (CID 5054311) is [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is AOJVTPZTYPMSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O2S2/c15-9-5-7(11(17)23-9)13(21)19-1-2-20(4-3-19)14(22)8-6-10(16)24-12(8)18/h5-6H,1-4H2.
What are the key properties of [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 444.19 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 5054311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).