2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol

C15H24N2OS2 — CID 10425683

IUPAC2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2(c3cccs3)CCCSC2)CC1
InChIInChI=1S/C15H24N2OS2/c18-10-9-16-5-7-17(8-6-16)15(4-2-11-19-13-15)14-3-1-12-20-14/h1,3,12,18H,2,4-11,13H2
InChIKeyAHJCYFQNXZRHNJ-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol

2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol (PubChem CID 10425683) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol
PubChem CID10425683
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2(c3cccs3)CCCSC2)CC1
InChIInChI=1S/C15H24N2OS2/c18-10-9-16-5-7-17(8-6-16)15(4-2-11-19-13-15)14-3-1-12-20-14/h1,3,12,18H,2,4-11,13H2
InChIKeyAHJCYFQNXZRHNJ-UHFFFAOYSA-N
XLogP2.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol (CID 10425683) is 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol is OCCN1CCN(C2(c3cccs3)CCCSC2)CC1.
What is the InChIKey of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
The InChIKey is AHJCYFQNXZRHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2/c18-10-9-16-5-7-17(8-6-16)15(4-2-11-19-13-15)14-3-1-12-20-14/h1,3,12,18H,2,4-11,13H2.
What are the key properties of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol has a molecular weight of 312.50 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 10425683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).