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

C9H15N5OS — CID 65273627

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1nsc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C9H15N5OS/c1-7-12-9(16-13-7)11-6-8(15)14-4-2-10-3-5-14/h10H,2-6H2,1H3,(H,11,12,13)
InChIKeyNTTNPCWMTNTBLD-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.31
Rot. Bonds3

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 65273627) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
PubChem CID65273627
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1nsc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C9H15N5OS/c1-7-12-9(16-13-7)11-6-8(15)14-4-2-10-3-5-14/h10H,2-6H2,1H3,(H,11,12,13)
InChIKeyNTTNPCWMTNTBLD-UHFFFAOYSA-N
XLogP-0.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (CID 65273627) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is Cc1nsc(NCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is NTTNPCWMTNTBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-7-12-9(16-13-7)11-6-8(15)14-4-2-10-3-5-14/h10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 241.32 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65273627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).