1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one

C13H20N4O2S — CID 56872045

IUPAC1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2snnc2CC)CC1=O
InChIInChI=1S/C13H20N4O2S/c1-3-5-6-16-7-8-17(9-11(16)18)13(19)12-10(4-2)14-15-20-12/h3-9H2,1-2H3
InChIKeyRTJHSFGIVWJDQC-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.18
Rot. Bonds5

About 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one

1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one (PubChem CID 56872045) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one
PubChem CID56872045
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCCCCN1CCN(C(=O)c2snnc2CC)CC1=O
InChIInChI=1S/C13H20N4O2S/c1-3-5-6-16-7-8-17(9-11(16)18)13(19)12-10(4-2)14-15-20-12/h3-9H2,1-2H3
InChIKeyRTJHSFGIVWJDQC-UHFFFAOYSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 39999733
4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 47168544
(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 53618603
(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53626744
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
[4-(2-Hydroxypropyl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71783260
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
4-[(4-Methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazinecarbaldehyde
CID 7293413
(2,6-Dimethylmorpholin-4-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45796002
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
4-ethyl-N-(1-morpholin-4-ylpropan-2-yl)thiadiazole-5-carboxamide
CID 45823732

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one (CID 56872045) is 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one is CCCCN1CCN(C(=O)c2snnc2CC)CC1=O.
What is the InChIKey of 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one?
The InChIKey is RTJHSFGIVWJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-3-5-6-16-7-8-17(9-11(16)18)13(19)12-10(4-2)14-15-20-12/h3-9H2,1-2H3.
What are the key properties of 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one?
1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one has a molecular weight of 296.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-ethylthiadiazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 56872045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).