1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

C11H13N5O2S — CID 136570434

IUPAC1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCc1cnc(-c2noc(C3CN(C)C(=O)CN3)n2)s1
InChIInChI=1S/C11H13N5O2S/c1-6-3-13-11(19-6)9-14-10(18-15-9)7-5-16(2)8(17)4-12-7/h3,7,12H,4-5H2,1-2H3
InChIKeyVEAGOPSODHJSTB-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.60
Rot. Bonds2

About 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 136570434) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID136570434
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCc1cnc(-c2noc(C3CN(C)C(=O)CN3)n2)s1
InChIInChI=1S/C11H13N5O2S/c1-6-3-13-11(19-6)9-14-10(18-15-9)7-5-16(2)8(17)4-12-7/h3,7,12H,4-5H2,1-2H3
InChIKeyVEAGOPSODHJSTB-UHFFFAOYSA-N
XLogP0.60
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 136570434) is 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is Cc1cnc(-c2noc(C3CN(C)C(=O)CN3)n2)s1.
What is the InChIKey of 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is VEAGOPSODHJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-6-3-13-11(19-6)9-14-10(18-15-9)7-5-16(2)8(17)4-12-7/h3,7,12H,4-5H2,1-2H3.
What are the key properties of 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 279.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 136570434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).