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

C10H14N4OS — CID 71863940

IUPAC1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESCc1nsc(N2CCN(C3CC3)C(=O)C2)n1
InChIInChI=1S/C10H14N4OS/c1-7-11-10(16-12-7)13-4-5-14(8-2-3-8)9(15)6-13/h8H,2-6H2,1H3
InChIKeyTZJSYXBWEVODGK-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.66
Rot. Bonds2

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

1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one (PubChem CID 71863940) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one
PubChem CID71863940
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one
SMILESCc1nsc(N2CCN(C3CC3)C(=O)C2)n1
InChIInChI=1S/C10H14N4OS/c1-7-11-10(16-12-7)13-4-5-14(8-2-3-8)9(15)6-13/h8H,2-6H2,1H3
InChIKeyTZJSYXBWEVODGK-UHFFFAOYSA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.66
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-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one (CID 71863940) is 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one is Cc1nsc(N2CCN(C3CC3)C(=O)C2)n1.
What is the InChIKey of 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
The InChIKey is TZJSYXBWEVODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7-11-10(16-12-7)13-4-5-14(8-2-3-8)9(15)6-13/h8H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one?
1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one has a molecular weight of 238.32 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-2-one is sourced from PubChem (CID 71863940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).