1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone

C10H17N5OS — CID 62178046

IUPAC1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCNc1snnc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C10H17N5OS/c1-8(16)15-5-3-14(4-6-15)7-9-10(11-2)17-13-12-9/h11H,3-7H2,1-2H3
InChIKeyRNIWEVGZSWXHEK-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.24
Rot. Bonds3

About 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 62178046) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID62178046
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCNc1snnc1CN1CCN(C(C)=O)CC1
InChIInChI=1S/C10H17N5OS/c1-8(16)15-5-3-14(4-6-15)7-9-10(11-2)17-13-12-9/h11H,3-7H2,1-2H3
InChIKeyRNIWEVGZSWXHEK-UHFFFAOYSA-N
XLogP0.24
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone (CID 62178046) is 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone is CNc1snnc1CN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is RNIWEVGZSWXHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-8(16)15-5-3-14(4-6-15)7-9-10(11-2)17-13-12-9/h11H,3-7H2,1-2H3.
What are the key properties of 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 255.35 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(methylamino)thiadiazol-4-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 62178046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).