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

C12H16N4OS — CID 71924179

IUPAC1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESO=C1CN(c2nc(C3CC3)ns2)CCN1C1CC1
InChIInChI=1S/C12H16N4OS/c17-10-7-15(5-6-16(10)9-3-4-9)12-13-11(14-18-12)8-1-2-8/h8-9H,1-7H2
InChIKeyKWJDBXRSXSDONP-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.23
Rot. Bonds3

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

1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one (PubChem CID 71924179) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one
PubChem CID71924179
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESO=C1CN(c2nc(C3CC3)ns2)CCN1C1CC1
InChIInChI=1S/C12H16N4OS/c17-10-7-15(5-6-16(10)9-3-4-9)12-13-11(14-18-12)8-1-2-8/h8-9H,1-7H2
InChIKeyKWJDBXRSXSDONP-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one (CID 71924179) is 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one is O=C1CN(c2nc(C3CC3)ns2)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The InChIKey is KWJDBXRSXSDONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c17-10-7-15(5-6-16(10)9-3-4-9)12-13-11(14-18-12)8-1-2-8/h8-9H,1-7H2.
What are the key properties of 1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
1-cyclopropyl-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.23, 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-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-2-one is sourced from PubChem (CID 71924179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).