cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone

C13H18N4O2S — CID 17484171

IUPACcyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H18N4O2S/c1-2-10-11(20-15-14-10)13(19)17-7-5-16(6-8-17)12(18)9-3-4-9/h9H,2-8H2,1H3
InChIKeyRHZYCFMCEIIHOC-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.79
Rot. Bonds3

About cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone

cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 17484171) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID17484171
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Namecyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H18N4O2S/c1-2-10-11(20-15-14-10)13(19)17-7-5-16(6-8-17)12(18)9-3-4-9/h9H,2-8H2,1H3
InChIKeyRHZYCFMCEIIHOC-UHFFFAOYSA-N
XLogP0.79
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone (CID 17484171) is cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone is CCc1nnsc1C(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RHZYCFMCEIIHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-10-11(20-15-14-10)13(19)17-7-5-16(6-8-17)12(18)9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 294.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17484171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).