[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone

C14H18N4OS — CID 90533345

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C14H18N4OS/c19-14(13-1-10-20-11-13)18-8-6-16(7-9-18)4-5-17-3-2-15-12-17/h1-3,10-12H,4-9H2
InChIKeyCTWCQRZJHHAICA-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.40
Rot. Bonds4

About [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 90533345) 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-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID90533345
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C14H18N4OS/c19-14(13-1-10-20-11-13)18-8-6-16(7-9-18)4-5-17-3-2-15-12-17/h1-3,10-12H,4-9H2
InChIKeyCTWCQRZJHHAICA-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-3-ylmethanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 90533345) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is CTWCQRZJHHAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(13-1-10-20-11-13)18-8-6-16(7-9-18)4-5-17-3-2-15-12-17/h1-3,10-12H,4-9H2.
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-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-3-ylmethanone is sourced from PubChem (CID 90533345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).