3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole

C7H12N4OS — CID 68530741

IUPAC3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCOc1nsc(N2CCNCC2)n1
InChIInChI=1S/C7H12N4OS/c1-12-6-9-7(13-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyBONNDUPLOABGSM-UHFFFAOYSA-N
MW200.27 g/mol
LogP-0.04
Rot. Bonds2

About 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole

3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole (PubChem CID 68530741) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole
PubChem CID68530741
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole
SMILESCOc1nsc(N2CCNCC2)n1
InChIInChI=1S/C7H12N4OS/c1-12-6-9-7(13-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3
InChIKeyBONNDUPLOABGSM-UHFFFAOYSA-N
XLogP-0.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole (CID 68530741) is 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole is COc1nsc(N2CCNCC2)n1.
What is the InChIKey of 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole?
The InChIKey is BONNDUPLOABGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-12-6-9-7(13-10-6)11-4-2-8-3-5-11/h8H,2-5H2,1H3.
What are the key properties of 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole?
3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole has a molecular weight of 200.27 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-piperazin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 68530741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).