1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone

C13H21N5OS2 — CID 119942406

IUPAC1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCc1nsc(N2CCN(C(=O)CC3CSCCN3)CC2)n1
InChIInChI=1S/C13H21N5OS2/c1-10-15-13(21-16-10)18-5-3-17(4-6-18)12(19)8-11-9-20-7-2-14-11/h11,14H,2-9H2,1H3
InChIKeyYKFXCJSWEDMWAL-UHFFFAOYSA-N
MW327.48 g/mol
LogP0.59
Rot. Bonds3

About 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone

1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 119942406) has the molecular formula C13H21N5OS2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID119942406
Molecular FormulaC13H21N5OS2
Molecular Weight327.48 g/mol
Exact Mass327.12
IUPAC Name1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCc1nsc(N2CCN(C(=O)CC3CSCCN3)CC2)n1
InChIInChI=1S/C13H21N5OS2/c1-10-15-13(21-16-10)18-5-3-17(4-6-18)12(19)8-11-9-20-7-2-14-11/h11,14H,2-9H2,1H3
InChIKeyYKFXCJSWEDMWAL-UHFFFAOYSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone (CID 119942406) is 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone is Cc1nsc(N2CCN(C(=O)CC3CSCCN3)CC2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is YKFXCJSWEDMWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS2/c1-10-15-13(21-16-10)18-5-3-17(4-6-18)12(19)8-11-9-20-7-2-14-11/h11,14H,2-9H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 327.48 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 119942406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).