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

C14H20N6OS — CID 129478872

IUPAC(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(C)[C@H](c2nccn2C)C1
InChIInChI=1S/C14H20N6OS/c1-4-10-12(22-17-16-10)14(21)20-8-7-18(2)11(9-20)13-15-5-6-19(13)3/h5-6,11H,4,7-9H2,1-3H3/t11-/m0/s1
InChIKeyQIBLBKJSMDEALQ-NSHDSACASA-N
MW320.42 g/mol
LogP0.96
Rot. Bonds3

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

(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 129478872) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID129478872
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(C)[C@H](c2nccn2C)C1
InChIInChI=1S/C14H20N6OS/c1-4-10-12(22-17-16-10)14(21)20-8-7-18(2)11(9-20)13-15-5-6-19(13)3/h5-6,11H,4,7-9H2,1-3H3/t11-/m0/s1
InChIKeyQIBLBKJSMDEALQ-NSHDSACASA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005
(4-ethyl-1,3-thiazol-5-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129006466
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
(2,6-dimethylpyrimidin-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129001283
(2S)-2-methyl-1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 129478886
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
(5-cyclopropyl-1-propylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 136533777
1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylbutan-1-one
CID 128992681
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 97187446
N,4-dimethyl-3-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 126817358

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 129478872) is (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is CCc1nnsc1C(=O)N1CCN(C)[C@H](c2nccn2C)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is QIBLBKJSMDEALQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N6OS/c1-4-10-12(22-17-16-10)14(21)20-8-7-18(2)11(9-20)13-15-5-6-19(13)3/h5-6,11H,4,7-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 320.42 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129478872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).