[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone

C14H18N4OS — CID 71788590

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C14H18N4OS/c19-14(13-2-1-11-20-13)18-9-7-16(8-10-18)5-6-17-4-3-15-12-17/h1-4,11-12H,5-10H2
InChIKeyOHLOTMPJVDUTCP-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.40
Rot. Bonds4

About [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 71788590) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID71788590
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C14H18N4OS/c19-14(13-2-1-11-20-13)18-9-7-16(8-10-18)5-6-17-4-3-15-12-17/h1-4,11-12H,5-10H2
InChIKeyOHLOTMPJVDUTCP-UHFFFAOYSA-N
XLogP1.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 71788590) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OHLOTMPJVDUTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(13-2-1-11-20-13)18-9-7-16(8-10-18)5-6-17-4-3-15-12-17/h1-4,11-12H,5-10H2.
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 290.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 71788590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).