1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one

C12H18N4OS — CID 71924178

IUPAC1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESCC(C)c1nsc(N2CCN(C3CC3)C(=O)C2)n1
InChIInChI=1S/C12H18N4OS/c1-8(2)11-13-12(18-14-11)15-5-6-16(9-3-4-9)10(17)7-15/h8-9H,3-7H2,1-2H3
InChIKeyKQKSQOOYMMICOA-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.47
Rot. Bonds3

About 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one

1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one (PubChem CID 71924178) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one
PubChem CID71924178
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESCC(C)c1nsc(N2CCN(C3CC3)C(=O)C2)n1
InChIInChI=1S/C12H18N4OS/c1-8(2)11-13-12(18-14-11)15-5-6-16(9-3-4-9)10(17)7-15/h8-9H,3-7H2,1-2H3
InChIKeyKQKSQOOYMMICOA-UHFFFAOYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1,3-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 166199475
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one (CID 71924178) is 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one is CC(C)c1nsc(N2CCN(C3CC3)C(=O)C2)n1.
What is the InChIKey of 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The InChIKey is KQKSQOOYMMICOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8(2)11-13-12(18-14-11)15-5-6-16(9-3-4-9)10(17)7-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-2-one is sourced from PubChem (CID 71924178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).