4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

C14H22N4OS — CID 75376999

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(c2nc(C3CC3)ns2)CC1(C)C
InChIInChI=1S/C14H22N4OS/c1-9(2)18-11(19)7-17(8-14(18,3)4)13-15-12(16-20-13)10-5-6-10/h9-10H,5-8H2,1-4H3
InChIKeyFGAGOMVMDGJETG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.25
Rot. Bonds3

About 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 75376999) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID75376999
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)CN(c2nc(C3CC3)ns2)CC1(C)C
InChIInChI=1S/C14H22N4OS/c1-9(2)18-11(19)7-17(8-14(18,3)4)13-15-12(16-20-13)10-5-6-10/h9-10H,5-8H2,1-4H3
InChIKeyFGAGOMVMDGJETG-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one with MolForge

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Related Compounds

N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 71925886
N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925922
N-cyclopropyl-N-(1-cyclopropylethyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 71979073
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925915
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 95785303
(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one
CID 99778221
2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 71861531
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803
2-[4-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 65270897

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (CID 75376999) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is CC(C)N1C(=O)CN(c2nc(C3CC3)ns2)CC1(C)C.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is FGAGOMVMDGJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)18-11(19)7-17(8-14(18,3)4)13-15-12(16-20-13)10-5-6-10/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 294.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 75376999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).