[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

C15H22N6OS — CID 129007005

IUPAC[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCN(CC)C(c2nccn2C)C1
InChIInChI=1S/C15H22N6OS/c1-4-11-13(23-18-17-11)15(22)21-9-8-20(5-2)12(10-21)14-16-6-7-19(14)3/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyNHGREOIERQXTRF-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.35
Rot. Bonds4

About [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 129007005) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
PubChem CID129007005
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCN(CC)C(c2nccn2C)C1
InChIInChI=1S/C15H22N6OS/c1-4-11-13(23-18-17-11)15(22)21-9-8-20(5-2)12(10-21)14-16-6-7-19(14)3/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyNHGREOIERQXTRF-UHFFFAOYSA-N
XLogP1.35
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
(4-ethyl-1,3-thiazol-5-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129006466
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129328537

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (CID 129007005) is [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCN(CC)C(c2nccn2C)C1.
What is the InChIKey of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is NHGREOIERQXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-4-11-13(23-18-17-11)15(22)21-9-8-20(5-2)12(10-21)14-16-6-7-19(14)3/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 334.45 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 129007005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).