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

C10H12N4O2S — CID 71924820

IUPAC1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
SMILESO=C(c1cnsn1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C10H12N4O2S/c15-9-6-13(3-4-14(9)7-1-2-7)10(16)8-5-11-17-12-8/h5,7H,1-4,6H2
InChIKeyBWAIVDZDMZOHKS-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.02
Rot. Bonds2

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

1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one (PubChem CID 71924820) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
PubChem CID71924820
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
SMILESO=C(c1cnsn1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C10H12N4O2S/c15-9-6-13(3-4-14(9)7-1-2-7)10(16)8-5-11-17-12-8/h5,7H,1-4,6H2
InChIKeyBWAIVDZDMZOHKS-UHFFFAOYSA-N
XLogP-0.02
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one (CID 71924820) is 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one is O=C(c1cnsn1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
The InChIKey is BWAIVDZDMZOHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c15-9-6-13(3-4-14(9)7-1-2-7)10(16)8-5-11-17-12-8/h5,7H,1-4,6H2.
What are the key properties of 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one has a molecular weight of 252.30 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 71924820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).