(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

C18H24N4O2S — CID 97210714

IUPAC(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N4O2S/c1-13(2)16-19-6-7-22(16)14(3)17(23)20-8-10-21(11-9-20)18(24)15-5-4-12-25-15/h4-7,12-14H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyXDFZZVWPCHIGFB-AWEZNQCLSA-N
MW360.48 g/mol
LogP2.61
Rot. Bonds4

About (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one

(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 97210714) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID97210714
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H24N4O2S/c1-13(2)16-19-6-7-22(16)14(3)17(23)20-8-10-21(11-9-20)18(24)15-5-4-12-25-15/h4-7,12-14H,8-11H2,1-3H3/t14-/m0/s1
InChIKeyXDFZZVWPCHIGFB-AWEZNQCLSA-N
XLogP2.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78795769
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CID 131950339
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97277363
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 95129358
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 146043279
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 104684820
2-(2-propan-2-ylimidazol-1-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
CID 72938766
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
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CID 142296627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one (CID 97210714) is (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is CC(C)c1nccn1[C@@H](C)C(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is XDFZZVWPCHIGFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13(2)16-19-6-7-22(16)14(3)17(23)20-8-10-21(11-9-20)18(24)15-5-4-12-25-15/h4-7,12-14H,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one?
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 360.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 97210714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).