3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one

C11H17N5O2S — CID 80616748

IUPAC3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one
SMILESCCNc1nnc(C(=O)N2CCNC(=O)C2CC)s1
InChIInChI=1S/C11H17N5O2S/c1-3-7-8(17)13-5-6-16(7)10(18)9-14-15-11(19-9)12-4-2/h7H,3-6H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyCYLPNNOOMFPNOB-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.32
Rot. Bonds4

About 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one

3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one (PubChem CID 80616748) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one
PubChem CID80616748
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one
SMILESCCNc1nnc(C(=O)N2CCNC(=O)C2CC)s1
InChIInChI=1S/C11H17N5O2S/c1-3-7-8(17)13-5-6-16(7)10(18)9-14-15-11(19-9)12-4-2/h7H,3-6H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyCYLPNNOOMFPNOB-UHFFFAOYSA-N
XLogP0.32
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
CID 65210016
4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
CID 63603736
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 80616565
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 66118459
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one (CID 80616748) is 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one is CCNc1nnc(C(=O)N2CCNC(=O)C2CC)s1.
What is the InChIKey of 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one?
The InChIKey is CYLPNNOOMFPNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-3-7-8(17)13-5-6-16(7)10(18)9-14-15-11(19-9)12-4-2/h7H,3-6H2,1-2H3,(H,12,15)(H,13,17).
What are the key properties of 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one?
3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one has a molecular weight of 283.36 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 80616748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).