3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide

C12H21N5OS — CID 71988596

IUPAC3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
SMILESCCc1nsc(N2CCN(CCC(=O)NC)CC2)n1
InChIInChI=1S/C12H21N5OS/c1-3-10-14-12(19-15-10)17-8-6-16(7-9-17)5-4-11(18)13-2/h3-9H2,1-2H3,(H,13,18)
InChIKeyHZGMREAEUJIBPW-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.36
Rot. Bonds5

About 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide

3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 71988596) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
PubChem CID71988596
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
SMILESCCc1nsc(N2CCN(CCC(=O)NC)CC2)n1
InChIInChI=1S/C12H21N5OS/c1-3-10-14-12(19-15-10)17-8-6-16(7-9-17)5-4-11(18)13-2/h3-9H2,1-2H3,(H,13,18)
InChIKeyHZGMREAEUJIBPW-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide (CID 71988596) is 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide is CCc1nsc(N2CCN(CCC(=O)NC)CC2)n1.
What is the InChIKey of 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is HZGMREAEUJIBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-10-14-12(19-15-10)17-8-6-16(7-9-17)5-4-11(18)13-2/h3-9H2,1-2H3,(H,13,18).
What are the key properties of 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide?
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 71988596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).