2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone

C10H17N5OS — CID 65276307

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCCc1nsc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C10H17N5OS/c1-2-8-13-10(17-14-8)12-7-9(16)15-5-3-11-4-6-15/h11H,2-7H2,1H3,(H,12,13,14)
InChIKeyBWOLVGAGYOBVFL-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.06
Rot. Bonds4

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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 65276307) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
PubChem CID65276307
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCCc1nsc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C10H17N5OS/c1-2-8-13-10(17-14-8)12-7-9(16)15-5-3-11-4-6-15/h11H,2-7H2,1H3,(H,12,13,14)
InChIKeyBWOLVGAGYOBVFL-UHFFFAOYSA-N
XLogP-0.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (CID 65276307) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is CCc1nsc(NCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is BWOLVGAGYOBVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-2-8-13-10(17-14-8)12-7-9(16)15-5-3-11-4-6-15/h11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 255.35 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65276307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).