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

C13H16N4OS — CID 25284838

IUPAC[4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCn1ccnc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H16N4OS/c1-15-5-4-14-13(15)17-8-6-16(7-9-17)12(18)11-3-2-10-19-11/h2-5,10H,6-9H2,1H3
InChIKeyIIWUTDBVGRTOTI-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.44
Rot. Bonds2

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

[4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 25284838) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID25284838
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCn1ccnc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C13H16N4OS/c1-15-5-4-14-13(15)17-8-6-16(7-9-17)12(18)11-3-2-10-19-11/h2-5,10H,6-9H2,1H3
InChIKeyIIWUTDBVGRTOTI-UHFFFAOYSA-N
XLogP1.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 2970607
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
N-2-pyrazinyl-2-thiophenecarboxamide
CID 1245526
4,5-dibromo-N-[3-(1H-imidazol-1-yl)propyl]thiophene-2-carboxamide
CID 4834145
5-Chloro-thiophene-2-carboxylic acid (4-imidazol-1-yl-butyl)-amide
CID 13371092
5-Chloro-thiophene-2-carboxylic acid (5-imidazol-1-yl-pentyl)-amide
CID 13371094
5-Chloro-thiophene-2-carboxylic acid (6-imidazol-1-yl-hexyl)-amide
CID 20435302
1-methyl-3-(2-oxo-2-(thiophen-2-yl)ethyl)-1H-imidazol-3-ium bromide
CID 23724264
4-bromo-5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2971029
N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091
3-[2-oxo-2-(2-thienyl)ethyl]-1-vinyl-1H-imidazol-3-ium bromide
CID 2881449
5-bromo-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
CID 2971078

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 25284838) is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is Cn1ccnc1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is IIWUTDBVGRTOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-15-5-4-14-13(15)17-8-6-16(7-9-17)12(18)11-3-2-10-19-11/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 276.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 25284838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).