3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one

C12H18N4O2S — CID 122150007

IUPAC3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
SMILESCc1nnc(C(=O)N2CCNC(=O)C2CC(C)C)s1
InChIInChI=1S/C12H18N4O2S/c1-7(2)6-9-10(17)13-4-5-16(9)12(18)11-15-14-8(3)19-11/h7,9H,4-6H2,1-3H3,(H,13,17)
InChIKeyGHWGEKVTSQDSBL-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.83
Rot. Bonds3

About 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one

3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one (PubChem CID 122150007) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
PubChem CID122150007
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
SMILESCc1nnc(C(=O)N2CCNC(=O)C2CC(C)C)s1
InChIInChI=1S/C12H18N4O2S/c1-7(2)6-9-10(17)13-4-5-16(9)12(18)11-15-14-8(3)19-11/h7,9H,4-6H2,1-3H3,(H,13,17)
InChIKeyGHWGEKVTSQDSBL-UHFFFAOYSA-N
XLogP0.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The IUPAC name of 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one (CID 122150007) is 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one is Cc1nnc(C(=O)N2CCNC(=O)C2CC(C)C)s1.
What is the InChIKey of 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The InChIKey is GHWGEKVTSQDSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7(2)6-9-10(17)13-4-5-16(9)12(18)11-15-14-8(3)19-11/h7,9H,4-6H2,1-3H3,(H,13,17).
What are the key properties of 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one has a molecular weight of 282.37 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 122150007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).